12-[[2-(2-carboxyethylsulfanyl)phenyl]amino]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[2-(2-carboxyethylsulfanyl)phenyl]amino]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[2-(2-carboxyethylsulfanyl)anilino]-12-oxo-dodecanoic acid CAS Name: 12-[2-(2-carboxyethylthio)anilino]-12-oxododecanoic acid IUPAC Name: 12-[2-(2-carboxyethylsulfanyl)anilino]-12-oxododecanoic acid Traditional Name: 12-[2-(2-carboxyethylthio)anilino]-12-keto-lauric acid Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCC(=O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C21H31NO5S/c23-19(13-7-5-3-1-2-4-6-8-14-20(24)25)22-17-11-9-10-12-18(17)28-16-15-21(26)27/h9-12H,1-8,13-16H2,(H,22,23)(H,24,25)(H,26,27)