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

Systemtic Name: 2-[1-[4-(4-methylphenyl)-3-sulfanyl-phenyl]ethylsulfinyl]ethanoic acid Openeye Name: 2-[1-[4-(p-tolyl)-3-sulfanyl-phenyl]ethylsulfinyl]acetic acid CAS Name: 2-[1-[3-mercapto-4-(4-methylphenyl)phenyl]ethylsulfinyl]acetic acid IUPAC Name: 2-[1-[4-(4-methylphenyl)-3-sulfanylphenyl]ethylsulfinyl]acetic acid Traditional Name: 2-[1-[3-mercapto-4-(p-tolyl)phenyl]ethylsulfinyl]acetic acid Formula: C17H18O3S2 MolecularWeight: 334.45302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O3S2/c1-11-3-5-13(6-4-11)15-8-7-14(9-16(15)21)12(2)22(20)10-17(18)19/h3-9,12,21H,10H2,1-2H3,(H,18,19)