2,3-bis(phenylcarbonyloxy)butanedioic acid; (2,5-dimethylphenyl)-(4-methylphenyl)-phenyl-sulfanium

Systemtic Name: 2,3-bis(phenylcarbonyloxy)butanedioic acid; (2,5-dimethylphenyl)-(4-methylphenyl)-phenyl-sulfanium Openeye Name: 2,3-dibenzoyloxybutanedioic acid; (2,5-dimethylphenyl)-phenyl-(p-tolyl)sulfonium CAS Name: 2,3-dibenzoyloxybutanedioic acid; (2,5-dimethylphenyl)-(4-methylphenyl)-phenylsulfonium IUPAC Name: 2,3-dibenzoyloxybutanedioic acid; (2,5-dimethylphenyl)-(4-methylphenyl)-phenylsulfanium Traditional Name: 2,3-dibenzoyloxysuccinic acid; (2,5-dimethylphenyl)-phenyl-(p-tolyl)sulfonium Formula: C39H35O8S+ MolecularWeight: 663.7554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=C(C=CC(=C3)C)C.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=C(C=CC(=C3)C)C.C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H21S.C18H14O8/c1-16-10-13-20(14-11-16)22(19-7-5-4-6-8-19)21-15-17(2)9-12-18(21)3;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h4-15H,1-3H3;1-10,13-14H,(H,19,20)(H,21,22)/q+1;