3-(3,4-dimethoxyphenyl)sulfanyl-6-phenyl-hexanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfanyl-6-phenyl-hexanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)sulfanyl-6-phenyl-hexanoic acid CAS Name: 3-[(3,4-dimethoxyphenyl)thio]-6-phenylhexanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)sulfanyl-6-phenylhexanoic acid Traditional Name: 3-[(3,4-dimethoxyphenyl)thio]-6-phenyl-hexanoic acid Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC(CCCC2=CC=CC=C2)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SC(CCCC2=CC=CC=C2)CC(=O)O)OC

InChI

InChI=1S/C20H24O4S/c1-23-18-12-11-17(13-19(18)24-2)25-16(14-20(21)22)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-13,16H,6,9-10,14H2,1-2H3,(H,21,22)