dimethyl 2-[8-[4-chloranyl-2-(4-methylphenyl)phenyl]-2-oxidanylidene-octyl]-2-oxidanyl-butanedioate

Systemtic Name: dimethyl 2-[8-[4-chloranyl-2-(4-methylphenyl)phenyl]-2-oxidanylidene-octyl]-2-oxidanyl-butanedioate Openeye Name: dimethyl 2-[8-[4-chloro-2-(p-tolyl)phenyl]-2-oxo-octyl]-2-hydroxy-butanedioate CAS Name: 2-[8-[4-chloro-2-(4-methylphenyl)phenyl]-2-oxooctyl]-2-hydroxybutanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[8-[4-chloro-2-(4-methylphenyl)phenyl]-2-oxooctyl]-2-hydroxybutanedioate Traditional Name: 2-[8-[4-chloro-2-(p-tolyl)phenyl]-2-keto-octyl]-2-hydroxy-succinic acid dimethyl ester Formula: C27H33ClO6 MolecularWeight: 489.00032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)CCCCCCC(=O)CC(CC(=O)OC)(C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)CCCCCCC(=O)CC(CC(=O)OC)(C(=O)OC)O

InChI

InChI=1S/C27H33ClO6/c1-19-10-12-21(13-11-19)24-16-22(28)15-14-20(24)8-6-4-5-7-9-23(29)17-27(32,26(31)34-3)18-25(30)33-2/h10-16,32H,4-9,17-18H2,1-3H3