Molecule:101019: Difference between revisions
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molecule
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|moleculeKey=GUXZIZDSJRSHLW-UHFFFAOYSA-K | |moleculeKey=GUXZIZDSJRSHLW-UHFFFAOYSA-K | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-02112509522D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
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M V30 38 C 2.34588 1.36763 0.0 0 | M V30 38 C 2.34588 1.36763 0.0 0 | ||
M V30 39 Fe 0.155253 -0.138673 0.0 0 CHG=2 | M V30 39 Fe 0.155253 -0.138673 0.0 0 CHG=2 | ||
M V30 40 O 0. | M V30 40 O 0.689846 0.914435 0.0 0 | ||
M V30 41 Cl | M V30 41 Cl 5.725 -1.35 0.0 0 | ||
M V30 42 O | M V30 42 O 5.725 -0.35 0.0 0 CHG=-1 | ||
M V30 43 O | M V30 43 O 4.85897 -1.85 0.0 0 | ||
M V30 44 O | M V30 44 O 5.98382 -2.31593 0.0 0 | ||
M V30 45 O | M V30 45 O 6.69093 -1.60882 0.0 0 | ||
M V30 46 Cl | M V30 46 Cl 5.40005 2.10796 0.0 0 | ||
M V30 47 O | M V30 47 O 5.40005 3.10796 0.0 0 CHG=-1 | ||
M V30 48 O | M V30 48 O 4.53402 1.60796 0.0 0 | ||
M V30 49 O | M V30 49 O 5.65887 1.14204 0.0 0 | ||
M V30 50 O | M V30 50 O 6.36598 1.84914 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 110: | Line 110: | ||
M V30 43 1 38 33 | M V30 43 1 38 33 | ||
M V30 44 1 20 35 | M V30 44 1 20 35 | ||
M V30 45 | M V30 45 8 39 40 | ||
M V30 46 10 | M V30 46 10 10 39 | ||
M V30 47 10 | M V30 47 10 22 39 | ||
M V30 48 10 | M V30 48 10 28 39 | ||
M V30 49 10 | M V30 49 10 34 39 | ||
M V30 50 | M V30 50 10 16 39 | ||
M V30 51 1 41 42 | M V30 51 1 41 42 | ||
M V30 52 2 41 43 | M V30 52 2 41 43 | ||
| Line 126: | Line 126: | ||
M V30 END BOND | M V30 END BOND | ||
M V30 BEGIN SGROUP | M V30 BEGIN SGROUP | ||
M V30 1 GEN 1 ATOMS=( | M V30 1 GEN 1 ATOMS=(40 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 2- | ||
M V30 1 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39) BRKXYZ=(9 | M V30 1 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40) BRKXYZ=(9 - | ||
M V30 | M V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000- | ||
M V30 .000000) BRKXYZ=(9 0.000000 0.000000 0.000000 0.000000 0.000000 0. | M V30 0 0.000000) BRKXYZ=(9 0.000000 0.000000 0.000000 0.000000 0.000000 0.0- | ||
M V30 | M V30 00000 0.000000 0.000000 0.000000) | ||
M V30 END SGROUP | M V30 END SGROUP | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C2C3C=CC=C4C5C=CC=C6C7C=CC=C8C9C%10=N([Fe+2](N=78)(N=56)(N=34)(N3C=2C(C=CC=3)=CC=1)~O)C=CC=C%10C=CC=9.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] | |||
|smiles=C1C2C3C=CC=C4C5C=CC=C6C7C=CC=C8C9C%10=N([Fe+2] | |||
|inchi=1S/C33H21N5.2ClHO4.Fe.H2O/c1-8-22-10-6-20-34-32(22)24(12-1)26-14-3-16-28(36-26)30-18-5-19-31(38-30)29-17-4-15-27(37-29)25-13-2-9-23-11-7-21-35-33(23)25;2*2-1(3,4)5;;/h1-21H;2*(H,2,3,4,5);;1H2/q;;;+3;/p-3 | |inchi=1S/C33H21N5.2ClHO4.Fe.H2O/c1-8-22-10-6-20-34-32(22)24(12-1)26-14-3-16-28(36-26)30-18-5-19-31(38-30)29-17-4-15-27(37-29)25-13-2-9-23-11-7-21-35-33(23)25;2*2-1(3,4)5;;/h1-21H;2*(H,2,3,4,5);;1H2/q;;;+3;/p-3 | ||
|inchikey=GUXZIZDSJRSHLW-UHFFFAOYSA-K | |inchikey=GUXZIZDSJRSHLW-UHFFFAOYSA-K | ||
Latest revision as of 10:53, 11 February 2025
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 759.022220176 |
| Molecular formula | C33H23Cl2FeN5O9 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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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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