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

Systemtic Name: dizinc; 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate; pyridine Openeye Name: dizinc; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate; pyridine CAS Name: dizinc; 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetate; pyridine IUPAC Name: dizinc; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate; pyridine Traditional Name: dizinc; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate; pyridine Formula: C86H70Cl4N6O16Zn2 MolecularWeight: 1716.1366

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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-].C1=CC=NC=C1.C1=CC=NC=C1.[Zn+2].[Zn+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-].C1=CC=NC=C1.C1=CC=NC=C1.[Zn+2].[Zn+2]

InChI

InChI=1S/4C19H16ClNO4.2C5H5N.2Zn/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*1-2-4-6-5-3-1;;/h4*3-9H,10H2,1-2H3,(H,22,23);2*1-5H;;/q;;;;;;2*+2/p-4