Molecule:100799: Difference between revisions

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molecule
(auto-generated)
(auto-generated)
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|synonyms=
|synonyms=
|hasVendors=
|hasVendors=
|moleculeKey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N
|moleculeKey=YYUMPZQZVFYISY-UHFFFAOYSA-L
|molOrRxn=
|molOrRxn=
   -INDIGO-02272416562D
   -INDIGO-02282410352D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 46 56 0 0 0
M  V30 COUNTS 61 68 0 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 N 6.00187 -5.51144 0.0 0 CFG=1
M  V30 1 N 6.00187 -5.51144 0.0 0
M  V30 2 C 5.53652 -6.31745 0.0 0
M  V30 2 C 5.53652 -6.31745 0.0 0
M  V30 3 C 6.00187 -7.12346 0.0 0
M  V30 3 C 6.00187 -7.12346 0.0 0
Line 25: Line 25:
M  V30 10 C 6.07158 -6.28748 0.0 0
M  V30 10 C 6.07158 -6.28748 0.0 0
M  V30 11 S 6.73798 -5.9152 0.0 0
M  V30 11 S 6.73798 -5.9152 0.0 0
M  V30 12 N 12.1667 -5.46491 0.0 0 CFG=1
M  V30 12 N 12.1667 -5.46491 0.0 0
M  V30 13 C 12.5929 -6.37216 0.0 0
M  V30 13 C 12.5929 -6.37216 0.0 0
M  V30 14 C 12.1434 -7.04674 0.0 0
M  V30 14 C 12.1434 -7.04674 0.0 0
Line 60: Line 60:
M  V30 45 C 10.5996 -6.41849 0.0 0
M  V30 45 C 10.5996 -6.41849 0.0 0
M  V30 46 C 10.69 -8.21535 0.0 0
M  V30 46 C 10.69 -8.21535 0.0 0
M  V30 47 Cl 13.95 -2.275 0.0 0
M  V30 48 O 13.95 -1.275 0.0 0
M  V30 49 O 12.95 -2.275 0.0 0
M  V30 50 O 14.95 -2.275 0.0 0 CHG=-1
M  V30 51 O 13.95 -3.275 0.0 0
M  V30 52 Cl 13.875 -8.75 0.0 0
M  V30 53 O 13.875 -7.75 0.0 0
M  V30 54 O 12.875 -8.75 0.0 0
M  V30 55 O 14.875 -8.75 0.0 0 CHG=-1
M  V30 56 O 13.875 -9.75 0.0 0
M  V30 57 B 4.225 -2.15 0.0 0 CHG=-1
M  V30 58 F 5.225 -2.15 0.0 0
M  V30 59 F 3.225 -2.15 0.0 0
M  V30 60 F 4.225 -1.15 0.0 0
M  V30 61 F 4.225 -3.15 0.0 0
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
Line 118: Line 133:
M  V30 55 1 33 46
M  V30 55 1 33 46
M  V30 56 1 46 15
M  V30 56 1 46 15
M  V30 57 2 47 48
M  V30 58 2 47 49
M  V30 59 1 47 50
M  V30 60 2 47 51
M  V30 61 2 52 53
M  V30 62 2 52 54
M  V30 63 1 52 55
M  V30 64 2 52 56
M  V30 65 1 57 58
M  V30 66 1 57 59
M  V30 67 1 57 60
M  V30 68 1 57 61
M  V30 END BOND
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 1 12)
M  V30 END COLLECTION
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=N123CCS4CC5C=C(CN6[Co+2]78N9CC%10C=C(C=CC=%10)CS([Cu+]14S(CC1C=CC=C(CN7CCN8(CC6)CC9)C=1)CC2)CC3)C=CC=5
 
|inchi=1S/C36H51N5S3.Co.Cu/c1-4-31-22-34(7-1)28-42-19-16-41-17-20-43-29-35-8-2-5-32(23-35)26-38-11-14-40(13-10-37-25-31)15-12-39-27-33-6-3-9-36(24-33)30-44-21-18-41;;/h1-9,22-24,37-39H,10-21,25-30H2;;/q;+2;+1
|smiles=N123CCS4CC5C=C(CN6[Co+2]78N9CC%10C=C(C=CC=%10)CS([Cu+]14S(CC1C=CC=C(CN7CCN8(CC6)CC9)C=1)CC2)CC3)C=CC=5.Cl(=O)([O-])(=O)=O.Cl(=O)([O-])(=O)=O.[B-](F)(F)(F)F
|inchikey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N
|inchi=1S/C36H51N5S3.BF4.2ClHO4.Co.Cu/c1-4-31-22-34(7-1)28-42-19-16-41-17-20-43-29-35-8-2-5-32(23-35)26-38-11-14-40(13-10-37-25-31)15-12-39-27-33-6-3-9-36(24-33)30-44-21-18-41;3*2-1(3,4)5;;/h1-9,22-24,37-39H,10-21,25-30H2;;2*(H,2,3,4,5);;/q;-1;;;+2;+1/p-2
|inchikey=YYUMPZQZVFYISY-UHFFFAOYSA-L
|width=300px
|width=300px
|height=200px
|height=200px

Revision as of 11:36, 28 February 2024

‎

Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation n/a
Trivialname n/a
Exact mass 771.19180639227
Molecular formula C36H51CoCuN5S3+3
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

100799


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Click here to show SMILES and InChI.


‎

Molecule is used on following pages

publication
investigation

Molecule roles

Investigation type Catalyst
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments
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