(E)-3-[4-(4-decoxyphenyl)carbonylsulfanylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(4-decoxyphenyl)carbonylsulfanylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(4-decoxybenzoyl)sulfanylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[(4-decoxyphenyl)-oxomethyl]thio]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(4-decoxybenzoyl)sulfanylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(4-decoxybenzoyl)thio]phenyl]acrylic acid Formula: C26H32O4S MolecularWeight: 440.59488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C26H32O4S/c1-2-3-4-5-6-7-8-9-20-30-23-15-13-22(14-16-23)26(29)31-24-17-10-21(11-18-24)12-19-25(27)28/h10-19H,2-9,20H2,1H3,(H,27,28)/b19-12+