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

Systemtic Name: aluminum; 2-acetyloxybenzoate; 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate Openeye Name: aluminum; 2-acetoxybenzoate; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate CAS Name: aluminum; 2-acetyloxybenzoate; 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetate IUPAC Name: aluminum; 2-acetyloxybenzoate; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate Traditional Name: aluminum; 2-acetoxybenzoate; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate Formula: C47H37AlCl2N2O12 MolecularWeight: 919.690418

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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-].CC(=O)OC1=CC=CC=C1C(=O)[O-].[Al+3]

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-].CC(=O)OC1=CC=CC=C1C(=O)[O-].[Al+3]

InChI

InChI=1S/2C19H16ClNO4.C9H8O4.Al/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;1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*3-9H,10H2,1-2H3,(H,22,23);2-5H,1H3,(H,11,12);/q;;;+3/p-3