3-(3,4-dimethoxyphenyl)sulfanyl-2-methyl-7-phenyl-heptanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfanyl-2-methyl-7-phenyl-heptanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)sulfanyl-2-methyl-7-phenyl-heptanoic acid CAS Name: 3-[(3,4-dimethoxyphenyl)thio]-2-methyl-7-phenylheptanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)sulfanyl-2-methyl-7-phenylheptanoic acid Traditional Name: 3-[(3,4-dimethoxyphenyl)thio]-2-methyl-7-phenyl-enanthic acid Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCC1=CC=CC=C1)SC2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CC(C(CCCCC1=CC=CC=C1)SC2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C22H28O4S/c1-16(22(23)24)21(12-8-7-11-17-9-5-4-6-10-17)27-18-13-14-19(25-2)20(15-18)26-3/h4-6,9-10,13-16,21H,7-8,11-12H2,1-3H3,(H,23,24)