3-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-2-[2-(phenylsulfonyl)ethyl]heptanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-2-[2-(phenylsulfonyl)ethyl]heptanoic acid Openeye Name: 2-[2-(benzenesulfonyl)ethyl]-3-(3,4-dimethoxyphenyl)sulfanyl-7-phenyl-heptanoic acid CAS Name: 2-[2-(benzenesulfonyl)ethyl]-3-[(3,4-dimethoxyphenyl)thio]-7-phenylheptanoic acid IUPAC Name: 2-[2-(benzenesulfonyl)ethyl]-3-(3,4-dimethoxyphenyl)sulfanyl-7-phenylheptanoic acid Traditional Name: 2-(2-besylethyl)-3-[(3,4-dimethoxyphenyl)thio]-7-phenyl-enanthic acid Formula: C29H34O6S2 MolecularWeight: 542.70666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC(CCCCC2=CC=CC=C2)C(CCS(=O)(=O)C3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SC(CCCCC2=CC=CC=C2)C(CCS(=O)(=O)C3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C29H34O6S2/c1-34-26-18-17-23(21-27(26)35-2)36-28(16-10-9-13-22-11-5-3-6-12-22)25(29(30)31)19-20-37(32,33)24-14-7-4-8-15-24/h3-8,11-12,14-15,17-18,21,25,28H,9-10,13,16,19-20H2,1-2H3,(H,30,31)