3-methyl-2-(4-prop-2-enylphenyl)sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-(4-prop-2-enylphenyl)sulfanyl-butanoic acid Openeye Name: 2-(4-allylphenyl)sulfanyl-3-methyl-butanoic acid CAS Name: 3-methyl-2-[(4-prop-2-enylphenyl)thio]butanoic acid IUPAC Name: 3-methyl-2-(4-prop-2-enylphenyl)sulfanylbutanoic acid Traditional Name: 2-[(4-allylphenyl)thio]-3-methyl-butyric acid Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=CC=C(C=C1)CC=C

Isomeric SMILES

CC(C)C(C(=O)O)SC1=CC=C(C=C1)CC=C

InChI

InChI=1S/C14H18O2S/c1-4-5-11-6-8-12(9-7-11)17-13(10(2)3)14(15)16/h4,6-10,13H,1,5H2,2-3H3,(H,15,16)