3,5-dimethyl-4-[2-(2-methylphenyl)sulfanylethanoyl]benzoic acid

Systemtic Name: 3,5-dimethyl-4-[2-(2-methylphenyl)sulfanylethanoyl]benzoic acid Openeye Name: 3,5-dimethyl-4-[2-(o-tolylsulfanyl)acetyl]benzoic acid CAS Name: 3,5-dimethyl-4-[2-[(2-methylphenyl)thio]-1-oxoethyl]benzoic acid IUPAC Name: 3,5-dimethyl-4-[2-(2-methylphenyl)sulfanylacetyl]benzoic acid Traditional Name: 3,5-dimethyl-4-[2-(o-tolylthio)acetyl]benzoic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)C2=C(C=C(C=C2C)C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)C2=C(C=C(C=C2C)C(=O)O)C

InChI

InChI=1S/C18H18O3S/c1-11-6-4-5-7-16(11)22-10-15(19)17-12(2)8-14(18(20)21)9-13(17)3/h4-9H,10H2,1-3H3,(H,20,21)