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

Systemtic Name: 2-[1-[4-(4-methylphenyl)phenyl]ethylsulfanyl]ethanoic acid Openeye Name: 2-[1-[4-(p-tolyl)phenyl]ethylsulfanyl]acetic acid CAS Name: 2-[1-[4-(4-methylphenyl)phenyl]ethylthio]acetic acid IUPAC Name: 2-[1-[4-(4-methylphenyl)phenyl]ethylsulfanyl]acetic acid Traditional Name: 2-[1-[4-(p-tolyl)phenyl]ethylthio]acetic acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O2S/c1-12-3-5-15(6-4-12)16-9-7-14(8-10-16)13(2)20-11-17(18)19/h3-10,13H,11H2,1-2H3,(H,18,19)