2-[4-[(4-propan-2-ylphenyl)sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(4-propan-2-ylphenyl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-isopropylphenyl)sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[(4-propan-2-ylphenyl)thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(4-propan-2-ylphenyl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[(p-cumenylthio)methyl]phenyl]acetic acid Formula: C18H20O2S MolecularWeight: 300.4152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O2S/c1-13(2)16-7-9-17(10-8-16)21-12-15-5-3-14(4-6-15)11-18(19)20/h3-10,13H,11-12H2,1-2H3,(H,19,20)