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

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate; cobalt(2+); dihydrate Openeye Name: cobaltous 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate dihydrate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetate; cobalt(2+); dihydrate IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate; cobalt(2+); dihydrate Traditional Name: cobaltous 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate dihydrate Formula: C38H34Cl2CoN2O10 MolecularWeight: 808.52316

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Descriptors Computed from Structure

Canonical SMILES:

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-].O.O.[Co+2]

Isomeric SMILES

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-].O.O.[Co+2]

InChI

InChI=1S/2C19H16ClNO4.Co.2H2O/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;;;/h2*3-9H,10H2,1-2H3,(H,22,23);;2*1H2/q;;+2;;/p-2