2-[1-[4-(4-methylphenyl)-3-sulfanyl-phenyl]ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[1-[4-(4-methylphenyl)-3-sulfanyl-phenyl]ethylsulfanyl]ethanoic acid Openeye Name: 2-[1-[4-(p-tolyl)-3-sulfanyl-phenyl]ethylsulfanyl]acetic acid CAS Name: 2-[1-[3-mercapto-4-(4-methylphenyl)phenyl]ethylthio]acetic acid IUPAC Name: 2-[1-[4-(4-methylphenyl)-3-sulfanylphenyl]ethylsulfanyl]acetic acid Traditional Name: 2-[1-[3-mercapto-4-(p-tolyl)phenyl]ethylthio]acetic acid Formula: C17H18O2S2 MolecularWeight: 318.45362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C=C2)C(C)SCC(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C=C2)C(C)SCC(=O)O)S

InChI

InChI=1S/C17H18O2S2/c1-11-3-5-13(6-4-11)15-8-7-14(9-16(15)20)12(2)21-10-17(18)19/h3-9,12,20H,10H2,1-2H3,(H,18,19)