3-[(4-dodecylphenyl)sulfanylmethyl]-4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(4-dodecylphenyl)sulfanylmethyl]-4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(4-dodecylphenyl)sulfanylmethyl]-4-(4-methylanilino)-4-oxo-butanoic acid CAS Name: 3-[[(4-dodecylphenyl)thio]methyl]-4-(4-methylanilino)-4-oxobutanoic acid IUPAC Name: 3-[(4-dodecylphenyl)sulfanylmethyl]-4-(4-methylanilino)-4-oxobutanoic acid Traditional Name: 4-keto-3-[[(4-laurylphenyl)thio]methyl]-4-(p-toluidino)butyric acid Formula: C30H43NO3S MolecularWeight: 497.73232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)SCC(CC(=O)O)C(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)SCC(CC(=O)O)C(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C30H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-25-16-20-28(21-17-25)35-23-26(22-29(32)33)30(34)31-27-18-14-24(2)15-19-27/h14-21,26H,3-13,22-23H2,1-2H3,(H,31,34)(H,32,33)