(E)-3-[3-methoxy-4-[4-(4-methylphenyl)sulfanylbutoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-methoxy-4-[4-(4-methylphenyl)sulfanylbutoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-methoxy-4-[4-(p-tolylsulfanyl)butoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-methoxy-4-[4-[(4-methylphenyl)thio]butoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-methoxy-4-[4-(4-methylphenyl)sulfanylbutoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-methoxy-4-[4-(p-tolylthio)butoxy]phenyl]acrylic acid Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCOC2=C(C=C(C=C2)C=CC(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCOC2=C(C=C(C=C2)/C=C/C(=O)O)OC

InChI

InChI=1S/C21H24O4S/c1-16-5-9-18(10-6-16)26-14-4-3-13-25-19-11-7-17(8-12-21(22)23)15-20(19)24-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,23)/b12-8+