4-[[2-(4-dodecylsulfanylphenyl)-1-ethoxy-2-oxidanylidene-ethyl]amino]benzoic acid

Systemtic Name: 4-[[2-(4-dodecylsulfanylphenyl)-1-ethoxy-2-oxidanylidene-ethyl]amino]benzoic acid Openeye Name: 4-[[2-(4-dodecylsulfanylphenyl)-1-ethoxy-2-oxo-ethyl]amino]benzoic acid CAS Name: 4-[[2-[4-(dodecylthio)phenyl]-1-ethoxy-2-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-dodecylsulfanylphenyl)-1-ethoxy-2-oxoethyl]amino]benzoic acid Traditional Name: 4-[[1-ethoxy-2-keto-2-[4-(laurylthio)phenyl]ethyl]amino]benzoic acid Formula: C29H41NO4S MolecularWeight: 499.70514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC=C(C=C1)C(=O)C(NC2=CC=C(C=C2)C(=O)O)OCC

Isomeric SMILES

CCCCCCCCCCCCSC1=CC=C(C=C1)C(=O)C(NC2=CC=C(C=C2)C(=O)O)OCC

InChI

InChI=1S/C29H41NO4S/c1-3-5-6-7-8-9-10-11-12-13-22-35-26-20-16-23(17-21-26)27(31)28(34-4-2)30-25-18-14-24(15-19-25)29(32)33/h14-21,28,30H,3-13,22H2,1-2H3,(H,32,33)