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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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