Molecule:100799: Difference between revisions
From ChemWiki
molecule
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Tag: Undo |
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|trivialname= | |trivialname= | ||
|abbrev= | |abbrev= | ||
|molecularFormula= | |molecularFormula=C<sub>36</sub>H<sub>51</sub>CoCuN<sub>5</sub>S<sub>3</sub>+<sub>4</sub> | ||
|molecularMass= | |molecularMass=771.19125781236 | ||
|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N | |moleculeKey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
|smiles= | -INDIGO-02272416342D | ||
|inchi= | |||
0 0 0 0 0 0 0 0 0 0 0 V3000 | |||
M V30 BEGIN CTAB | |||
M V30 COUNTS 46 56 0 0 0 | |||
M V30 BEGIN ATOM | |||
M V30 1 N 3.4 -5.925 0.0 0 CFG=1 | |||
M V30 2 C 2.9 -6.79103 0.0 0 | |||
M V30 3 C 3.4 -7.65705 0.0 0 | |||
M V30 4 S 4.4 -7.65705 0.0 0 | |||
M V30 5 Cu 4.84093 -5.41618 0.0 0 CHG=1 | |||
M V30 6 C 2.53397 -6.425 0.0 0 | |||
M V30 7 C 2.9 -5.05897 0.0 0 | |||
M V30 8 C 3.4 -4.19295 0.0 0 | |||
M V30 9 S 4.4 -4.19295 0.0 0 | |||
M V30 10 C 3.4749 -6.75882 0.0 0 | |||
M V30 11 S 4.19093 -6.35882 0.0 0 | |||
M V30 12 N 10.0239 -5.875 0.0 0 CFG=1 | |||
M V30 13 C 10.4818 -6.84981 0.0 0 | |||
M V30 14 C 9.99888 -7.57462 0.0 0 | |||
M V30 15 N 9.03307 -7.59962 0.0 0 | |||
M V30 16 Co 8.60132 -5.48446 0.0 0 CHG=2 | |||
M V30 17 C 10.9237 -6.3579 0.0 0 | |||
M V30 18 C 10.4068 -5.00019 0.0 0 | |||
M V30 19 C 9.97388 -4.17538 0.0 0 | |||
M V30 20 N 9.00807 -4.17538 0.0 0 | |||
M V30 21 C 10.0374 -6.75699 0.0 0 | |||
M V30 22 N 9.28757 -6.39909 0.0 0 | |||
M V30 23 C 4.9 -3.32692 0.0 0 | |||
M V30 24 C 5.79103 -2.97692 0.0 0 | |||
M V30 25 C 6.65475 -1.47762 0.0 0 | |||
M V30 26 C 5.79064 -1.97621 0.0 0 | |||
M V30 27 C 7.52193 -1.97751 0.0 0 | |||
M V30 28 C 6.66167 -3.47881 0.0 0 | |||
M V30 29 C 7.52451 -2.97319 0.0 0 | |||
M V30 30 C 8.41554 -3.27319 0.0 0 | |||
M V30 31 C 4.8 -8.82308 0.0 0 | |||
M V30 32 C 5.84093 -9.33189 0.0 0 | |||
M V30 33 C 7.57123 -9.33025 0.0 0 | |||
M V30 34 C 6.70738 -8.83121 0.0 0 | |||
M V30 35 C 7.5719 -10.3312 0.0 0 | |||
M V30 36 C 5.8416 -10.3368 0.0 0 | |||
M V30 37 C 6.7109 -10.8313 0.0 0 | |||
M V30 38 C 5.83485 -6.90007 0.0 0 | |||
M V30 39 C 7.56515 -6.89959 0.0 0 | |||
M V30 40 C 6.70164 -6.39997 0.0 0 | |||
M V30 41 C 7.56515 -7.90053 0.0 0 | |||
M V30 42 C 5.83485 -7.90502 0.0 0 | |||
M V30 43 C 6.70382 -8.40003 0.0 0 | |||
M V30 44 C 5.10103 -6.85915 0.0 0 | |||
M V30 45 C 8.34015 -6.89959 0.0 0 | |||
M V30 46 C 8.43725 -8.83025 0.0 0 | |||
M V30 END ATOM | |||
M V30 BEGIN BOND | |||
M V30 1 1 1 2 | |||
M V30 2 1 2 3 | |||
M V30 3 1 3 4 | |||
M V30 4 10 1 5 | |||
M V30 5 1 1 6 CFG=1 | |||
M V30 6 1 1 7 CFG=3 | |||
M V30 7 1 7 8 | |||
M V30 8 1 8 9 | |||
M V30 9 10 9 5 | |||
M V30 10 1 6 10 | |||
M V30 11 1 10 11 | |||
M V30 12 10 11 5 | |||
M V30 13 10 4 5 | |||
M V30 14 1 12 13 | |||
M V30 15 1 13 14 | |||
M V30 16 1 14 15 | |||
M V30 17 10 12 16 | |||
M V30 18 1 12 17 CFG=1 | |||
M V30 19 1 12 18 CFG=3 | |||
M V30 20 1 18 19 | |||
M V30 21 1 19 20 | |||
M V30 22 10 20 16 | |||
M V30 23 1 17 21 | |||
M V30 24 1 21 22 | |||
M V30 25 10 22 16 | |||
M V30 26 10 15 16 | |||
M V30 27 1 9 23 | |||
M V30 28 1 23 24 | |||
M V30 29 2 26 24 | |||
M V30 30 2 27 25 | |||
M V30 31 1 24 28 | |||
M V30 32 1 25 26 | |||
M V30 33 2 28 29 | |||
M V30 34 1 29 27 | |||
M V30 35 1 29 30 | |||
M V30 36 1 4 31 | |||
M V30 37 1 31 32 | |||
M V30 38 2 34 32 | |||
M V30 39 2 35 33 | |||
M V30 40 1 32 36 | |||
M V30 41 1 33 34 | |||
M V30 42 2 36 37 | |||
M V30 43 1 37 35 | |||
M V30 44 2 40 38 | |||
M V30 45 2 41 39 | |||
M V30 46 1 38 42 | |||
M V30 47 1 39 40 | |||
M V30 48 2 42 43 | |||
M V30 49 1 43 41 | |||
M V30 50 1 38 44 | |||
M V30 51 1 44 11 | |||
M V30 52 1 30 20 | |||
M V30 53 1 39 45 | |||
M V30 54 1 45 22 | |||
M V30 55 1 33 46 | |||
M V30 56 1 46 15 | |||
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 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 | |||
|inchikey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N | |inchikey=LHOOHFHVSCYQHJ-UHFFFAOYSA-N | ||
|width= | |width=200 | ||
|height= | |height=200 | ||
|float=none | |float=none | ||
|parent= | |parent= | ||
}} | }} |
Revision as of 16:54, 27 February 2024
Properties | |
---|---|
CID | n/a |
CAS | n/a |
IUPAC-Name | n/a |
Abbreviation | n/a |
Trivialname | n/a |
Exact mass | 771.19125781236 |
Molecular formula | C36H51CoCuN5S3+4 |
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 |