3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-isopropylphenyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-propan-2-ylphenyl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[(p-cumenylthio)methyl]benzoic acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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