9-[(2-methylsulfanylphenyl)amino]-9-oxidanylidene-nonanoic acid

Systemtic Name: 9-[(2-methylsulfanylphenyl)amino]-9-oxidanylidene-nonanoic acid Openeye Name: 9-(2-methylsulfanylanilino)-9-oxo-nonanoic acid CAS Name: 9-[2-(methylthio)anilino]-9-oxononanoic acid IUPAC Name: 9-(2-methylsulfanylanilino)-9-oxononanoic acid Traditional Name: 9-keto-9-[2-(methylthio)anilino]pelargonic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCCCCCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCCCCCCC(=O)O

InChI

InChI=1S/C16H23NO3S/c1-21-14-10-8-7-9-13(14)17-15(18)11-5-3-2-4-6-12-16(19)20/h7-10H,2-6,11-12H2,1H3,(H,17,18)(H,19,20)