Molecule:100987: Difference between revisions

InChI	1S/C39H32O7P2S2.C26H20N2O6S2.Cu/c1-39(2)33-23-31(49(40,41)42)25-35(47(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(33)46-38-34(39)24-32(50(43,44)45)26-36(38)48(29-19-11-5-12-20-29)30-21-13-6-14-22-30;1-15-13-19(17-9-5-3-6-10-17)21-23(27-15)24-22(26(36(32,33)34)25(21)35(29,30)31)20(14-16(2)28-24)18-11-7-4-8-12-18;/h3-26H,1-2H3,(H,40,41,42)(H,43,44,45);3-14H,1-2H3,(H,29,30,31)(H,32,33,34);/q;;-1/p-2
InChI-Key	ABXHSXAIZVLAIE-UHFFFAOYSA-L
SMILES	C1(C=C(C)N2~[Cu+](~N3C4C=2C=1C(=C(C=4C(=CC=3C)C1C=CC=CC=1)S([O-])(=O)=O)S([O-])(=O)=O)1~P(C2C=C(C=C3C(C)(C)C4=CC(=CC(P~1(C1C=CC=CC=1)C1C=CC=CC=1)=C4OC3=2)S([O-])(=O)=O)S([O-])(=O)=O)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	n/a
Trivialname	n/a
Exact mass	1317.0832386756
Molecular formula	C65H48CuN2O13P2S4-4
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

← Older edit Newer edit →

VisualWikitext

Revision as of 15:37, 10 January 2025

‎

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

publication

Photochemical CO2 Reduction Driven by Water-Soluble Copper(I) Photosensitizer with the Catalysis Accelerated by Multi-Electron Chargeable Cobalt Porphyrin

investigation

Photochemical CO2 Reduction Driven by Water-Soluble Copper(I) Photosensitizer with the Catalysis Accelerated by Multi-Electron Chargeable Cobalt Porphyrin/Tabel 1

Molecule roles

Investigation type	Photosensitizer
Photocatalytic CO2 conversion experiments	Tabel 1
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments
Ultraviolett Visuell experiments

@@ Line 6: / Line 6: @@
 |synonyms=
 |hasVendors=
-|moleculeKey=PDVCFPPNDZGLBQ-UHFFFAOYSA-L
+|moleculeKey=ABXHSXAIZVLAIE-UHFFFAOYSA-L
 |molOrRxn=
-   -INDIGO-12112415042D
+   -INDIGO-01102515362D
   0  0  0  0  0  0  0  0  0  0 V3000
 M  V30 BEGIN CTAB
-M  V30 COUNTS 87 100 10 0 0
+M  V30 COUNTS 87 100 6 0 0
 M  V30 BEGIN ATOM
 M  V30 1 C -2.56114 1.6625 0.0 0
@@ Line 30: / Line 30: @@
 M  V30 15 C -0.410401 2.07581 0.0 0
 M  V30 16 C -0.410401 -2.0635 0.0 0
-M  V30 17 Cu 1.45104 -0.076391 0.0 0
+M  V30 17 Cu 1.45104 -0.076391 0.0 0 CHG=1
 M  V30 18 C 6.5811 0.015442 0.0 0
 M  V30 19 C 6.1671 0.458868 0.0 0
@@ Line 229: / Line 229: @@
 M  V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -
 M  V30 0.000000) LABEL=Ph
-M  V30 7 SUP 7 ATOMS=(4 72 73 74 75) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
-M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
-M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
-M  V30 00) LABEL="SO3-"
-M  V30 8 SUP 8 ATOMS=(4 76 77 78 79) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
-M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
-M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
-M  V30 00) LABEL="SO3-"
-M  V30 9 SUP 9 ATOMS=(4 80 81 82 83) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0-
-M  V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000-
-M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.0000-
-M  V30 00) LABEL="SO3-"
-M  V30 10 SUP 10 ATOMS=(4 84 85 86 87) BRKXYZ=(9 0.000000 0.000000 0.000000 0-
-M  V30 .000000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.0000-
-M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00-
-M  V30 0000) LABEL="SO3-"
 M  V30 END SGROUP
 M  V30 END CTAB
 M  END
-|smiles=C1(C=C(C)N2~[Cu](~N3C4C=2C=1C(=C(C=4C(=CC=3C)C1C=CC=CC=1)S([O-])(=O)=O)S([O-])(=O)=O)1~P(C2C=C(C=C3C(C)(C)C4=CC(=CC(P~1(C1C=CC=CC=1)C1C=CC=CC=1)=C4OC3=2)S([O-])(=O)=O)S([O-])(=O)=O)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1
-|inchi=1S/C39H32O7P2S2.C26H20N2O6S2.Cu/c1-39(2)33-23-31(49(40,41)42)25-35(47(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(33)46-38-34(39)24-32(50(43,44)45)26-36(38)48(29-19-11-5-12-20-29)30-21-13-6-14-22-30;1-15-13-19(17-9-5-3-6-10-17)21-23(27-15)24-22(26(36(32,33)34)25(21)35(29,30)31)20(14-16(2)28-24)18-11-7-4-8-12-18;/h3-26H,1-2H3,(H,40,41,42)(H,43,44,45);3-14H,1-2H3,(H,29,30,31)(H,32,33,34);/q;;-2/p-2
+|smiles=C1(C=C(C)N2~[Cu+](~N3C4C=2C=1C(=C(C=4C(=CC=3C)C1C=CC=CC=1)S([O-])(=O)=O)S([O-])(=O)=O)1~P(C2C=C(C=C3C(C)(C)C4=CC(=CC(P~1(C1C=CC=CC=1)C1C=CC=CC=1)=C4OC3=2)S([O-])(=O)=O)S([O-])(=O)=O)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1
-|inchikey=PDVCFPPNDZGLBQ-UHFFFAOYSA-L
+|inchi=1S/C39H32O7P2S2.C26H20N2O6S2.Cu/c1-39(2)33-23-31(49(40,41)42)25-35(47(27-15-7-3-8-16-27)28-17-9-4-10-18-28)37(33)46-38-34(39)24-32(50(43,44)45)26-36(38)48(29-19-11-5-12-20-29)30-21-13-6-14-22-30;1-15-13-19(17-9-5-3-6-10-17)21-23(27-15)24-22(26(36(32,33)34)25(21)35(29,30)31)20(14-16(2)28-24)18-11-7-4-8-12-18;/h3-26H,1-2H3,(H,40,41,42)(H,43,44,45);3-14H,1-2H3,(H,29,30,31)(H,32,33,34);/q;;-1/p-2
+|inchikey=ABXHSXAIZVLAIE-UHFFFAOYSA-L
 |width=300px
 |height=200px

Molecule:100987: Difference between revisions

Revision as of 15:37, 10 January 2025

Molecule is used on following pages

Molecule roles

Records for role ""

Topics

Molecule:100987: Difference between revisions

Revision as of 15:37, 10 January 2025

Molecule is used on following pages

Molecule roles

Records for role ""

Current site

Topics