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

Systemtic Name: dimethyl 2-[8-(4-chloranyl-2-phenyl-phenyl)-2-oxidanylidene-octyl]-2-oxidanyl-butanedioate Openeye Name: dimethyl 2-[8-(4-chloro-2-phenyl-phenyl)-2-oxo-octyl]-2-hydroxy-butanedioate CAS Name: 2-[8-(4-chloro-2-phenylphenyl)-2-oxooctyl]-2-hydroxybutanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[8-(4-chloro-2-phenylphenyl)-2-oxooctyl]-2-hydroxybutanedioate Traditional Name: 2-[8-(4-chloro-2-phenyl-phenyl)-2-keto-octyl]-2-hydroxy-succinic acid dimethyl ester Formula: C26H31ClO6 MolecularWeight: 474.97374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)CCCCCCC1=C(C=C(C=C1)Cl)C2=CC=CC=C2)(C(=O)OC)O

Isomeric SMILES

COC(=O)CC(CC(=O)CCCCCCC1=C(C=C(C=C1)Cl)C2=CC=CC=C2)(C(=O)OC)O

InChI

InChI=1S/C26H31ClO6/c1-32-24(29)18-26(31,25(30)33-2)17-22(28)13-9-4-3-6-12-20-14-15-21(27)16-23(20)19-10-7-5-8-11-19/h5,7-8,10-11,14-16,31H,3-4,6,9,12-13,17-18H2,1-2H3