2-(4-methylphenyl)sulfanyl-8-methylsulfanyl-octanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfanyl-8-methylsulfanyl-octanoic acid Openeye Name: 8-methylsulfanyl-2-(p-tolylsulfanyl)octanoic acid CAS Name: 2-[(4-methylphenyl)thio]-8-(methylthio)octanoic acid IUPAC Name: 2-(4-methylphenyl)sulfanyl-8-methylsulfanyloctanoic acid Traditional Name: 8-(methylthio)-2-(p-tolylthio)caprylic acid Formula: C16H24O2S2 MolecularWeight: 312.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCCSC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCSC)C(=O)O

InChI

InChI=1S/C16H24O2S2/c1-13-8-10-14(11-9-13)20-15(16(17)18)7-5-3-4-6-12-19-2/h8-11,15H,3-7,12H2,1-2H3,(H,17,18)