(E)-3-(2-hexyl-6-methylsulfanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-hexyl-6-methylsulfanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(2-hexyl-6-methylsulfanyl-phenyl)prop-2-enoic acid CAS Name: (E)-3-[2-hexyl-6-(methylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(2-hexyl-6-methylsulfanylphenyl)prop-2-enoic acid Traditional Name: (E)-3-[2-hexyl-6-(methylthio)phenyl]acrylic acid Formula: C16H22O2S MolecularWeight: 278.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=CC=C1)SC)C=CC(=O)O

Isomeric SMILES

CCCCCCC1=C(C(=CC=C1)SC)/C=C/C(=O)O

InChI

InChI=1S/C16H22O2S/c1-3-4-5-6-8-13-9-7-10-15(19-2)14(13)11-12-16(17)18/h7,9-12H,3-6,8H2,1-2H3,(H,17,18)/b12-11+