2,2-bis[(4-methylphenyl)sulfanyl]ethanoic acid

Systemtic Name: 2,2-bis[(4-methylphenyl)sulfanyl]ethanoic acid Openeye Name: 2,2-bis(p-tolylsulfanyl)acetic acid CAS Name: 2,2-bis[(4-methylphenyl)thio]acetic acid IUPAC Name: 2,2-bis[(4-methylphenyl)sulfanyl]acetic acid Traditional Name: 2,2-bis(p-tolylthio)acetic acid Formula: C16H16O2S2 MolecularWeight: 304.42704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2S2/c1-11-3-7-13(8-4-11)19-16(15(17)18)20-14-9-5-12(2)6-10-14/h3-10,16H,1-2H3,(H,17,18)