2-[3-methyl-2-[(4-methylphenyl)methylsulfanyl]phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3-methyl-2-[(4-methylphenyl)methylsulfanyl]phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-methyl-2-(p-tolylmethylsulfanyl)phenyl]-2-oxo-acetic acid CAS Name: 2-[3-methyl-2-[(4-methylphenyl)methylthio]phenyl]-2-oxoacetic acid IUPAC Name: 2-[3-methyl-2-[(4-methylphenyl)methylsulfanyl]phenyl]-2-oxoacetic acid Traditional Name: 2-keto-2-[3-methyl-2-[(4-methylbenzyl)thio]phenyl]acetic acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C=CC=C2C)C(=O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C=CC=C2C)C(=O)C(=O)O

InChI

InChI=1S/C17H16O3S/c1-11-6-8-13(9-7-11)10-21-16-12(2)4-3-5-14(16)15(18)17(19)20/h3-9H,10H2,1-2H3,(H,19,20)