(E)-3-[4-(3-methylbutylsulfanyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-methylbutylsulfanyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-(4-isopentylsulfanylphenyl)prop-2-enoic acid CAS Name: (E)-3-[4-(3-methylbutylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-methylbutylsulfanyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(isoamylthio)phenyl]acrylic acid Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CC(C)CCSC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C14H18O2S/c1-11(2)9-10-17-13-6-3-12(4-7-13)5-8-14(15)16/h3-8,11H,9-10H2,1-2H3,(H,15,16)/b8-5+