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

Systemtic Name: dicopper; 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate; ethanenitrile Openeye Name: dicopper; acetonitrile; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate CAS Name: dicopper; acetonitrile; 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetate IUPAC Name: dicopper; acetonitrile; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate Traditional Name: dicupric; acetonitrile; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate Formula: C80H66Cl4Cu2N6O16 MolecularWeight: 1636.31464

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.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-].[Cu+2].[Cu+2]

Isomeric SMILES

CC#N.CC#N.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-].[Cu+2].[Cu+2]

InChI

InChI=1S/4C19H16ClNO4.2C2H3N.2Cu/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;2*1-2-3;;/h4*3-9H,10H2,1-2H3,(H,22,23);2*1H3;;/q;;;;;;2*+2/p-4