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

Systemtic Name: dicopper 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate dihydrate Openeye Name: dicopper 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate dihydrate CAS Name: dicopper 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetate dihydrate IUPAC Name: dicopper 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate dihydrate Traditional Name: dicupric 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate dihydrate Formula: C76H64Cl4Cu2N4O18 MolecularWeight: 1590.24136

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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-].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.[Cu+2].[Cu+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-].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.[Cu+2].[Cu+2]

InChI

InChI=1S/4C19H16ClNO4.2Cu.2H2O/c4*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;;;;/h4*3-9H,10H2,1-2H3,(H,22,23);;;2*1H2/q;;;;2*+2;;/p-4