(E)-3-[4-(4-decylphenyl)carbothioylsulfanylphenyl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[4-(4-decylphenyl)carbothioylsulfanylphenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[4-(4-decylbenzenecarbothioyl)sulfanylphenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-[[(4-decylphenyl)-sulfanylidenemethyl]thio]phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-(4-decylbenzenecarbothioyl)sulfanylphenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-[(4-decylthiobenzoyl)thio]phenyl]-2-methyl-acrylic acid Formula: C27H34O2S2 MolecularWeight: 454.68766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C(=S)SC2=CC=C(C=C2)C=C(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C(=S)SC2=CC=C(C=C2)/C=C(\C)/C(=O)O

InChI

InChI=1S/C27H34O2S2/c1-3-4-5-6-7-8-9-10-11-22-12-16-24(17-13-22)27(30)31-25-18-14-23(15-19-25)20-21(2)26(28)29/h12-20H,3-11H2,1-2H3,(H,28,29)/b21-20+