7-(4-methylphenoxy)-2-(4-methylphenyl)sulfanyl-heptanoic acid

Systemtic Name: 7-(4-methylphenoxy)-2-(4-methylphenyl)sulfanyl-heptanoic acid Openeye Name: 7-(4-methylphenoxy)-2-(p-tolylsulfanyl)heptanoic acid CAS Name: 7-(4-methylphenoxy)-2-[(4-methylphenyl)thio]heptanoic acid IUPAC Name: 7-(4-methylphenoxy)-2-(4-methylphenyl)sulfanylheptanoic acid Traditional Name: 7-(4-methylphenoxy)-2-(p-tolylthio)enanthic acid Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCCCC(C(=O)O)SC2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCCCC(C(=O)O)SC2=CC=C(C=C2)C

InChI

InChI=1S/C21H26O3S/c1-16-7-11-18(12-8-16)24-15-5-3-4-6-20(21(22)23)25-19-13-9-17(2)10-14-19/h7-14,20H,3-6,15H2,1-2H3,(H,22,23)