(E)-3-(4-propylsulfanylphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-propylsulfanylphenyl)prop-2-enoic acid Openeye Name: (E)-3-(4-propylsulfanylphenyl)prop-2-enoic acid CAS Name: (E)-3-[4-(propylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-propylsulfanylphenyl)prop-2-enoic acid Traditional Name: (E)-3-[4-(propylthio)phenyl]acrylic acid Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CCCSC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C12H14O2S/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-8H,2,9H2,1H3,(H,13,14)/b8-5+