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

Systemtic Name: (E)-3-[4-(4-decoxyphenyl)carbonylsulfanylphenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[4-(4-decoxybenzoyl)sulfanylphenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-[[(4-decoxyphenyl)-oxomethyl]thio]phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-(4-decoxybenzoyl)sulfanylphenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-[(4-decoxybenzoyl)thio]phenyl]-2-methyl-acrylic acid Formula: C27H34O4S MolecularWeight: 454.62146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34O4S/c1-3-4-5-6-7-8-9-10-19-31-24-15-13-23(14-16-24)27(30)32-25-17-11-22(12-18-25)20-21(2)26(28)29/h11-18,20H,3-10,19H2,1-2H3,(H,28,29)/b21-20+