2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate; cobalt(2+); ethanol

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate; cobalt(2+); ethanol Openeye Name: cobaltous; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate; ethanol CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetate; cobalt(2+); ethanol IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate; cobalt(2+); ethanol Traditional Name: cobaltous; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate; ethanol Formula: C42H42Cl2CoN2O10 MolecularWeight: 864.62948

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCO.CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)[O-].CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)[O-].[Co+2]

Isomeric SMILES

CCO.CCO.CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)[O-].CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)[O-].[Co+2]

InChI

InChI=1S/2C19H16ClNO4.2C2H6O.Co/c2*1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;2*1-2-3;/h2*3-9H,10H2,1-2H3,(H,22,23);2*3H,2H2,1H3;/q;;;;+2/p-2