2-[4-[(3,5-dimethylphenyl)sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3,5-dimethylphenyl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(3,5-dimethylphenyl)sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[(3,5-dimethylphenyl)thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(3,5-dimethylphenyl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[(3,5-dimethylphenyl)thio]methyl]phenyl]acetic acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SCC2=CC=C(C=C2)CC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)SCC2=CC=C(C=C2)CC(=O)O)C

InChI

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