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

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-2-methyl-7-phenyl-heptanoic acid Openeye Name: 3-(4-methoxyphenyl)sulfanyl-2-methyl-7-phenyl-heptanoic acid CAS Name: 3-[(4-methoxyphenyl)thio]-2-methyl-7-phenylheptanoic acid IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-2-methyl-7-phenylheptanoic acid Traditional Name: 3-[(4-methoxyphenyl)thio]-2-methyl-7-phenyl-enanthic acid Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3S/c1-16(21(22)23)20(25-19-14-12-18(24-2)13-15-19)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-16,20H,6-7,10-11H2,1-2H3,(H,22,23)