13-[[2-(2-carboxyethylsulfanyl)phenyl]amino]-13-oxidanylidene-tridecanoic acid

Systemtic Name: 13-[[2-(2-carboxyethylsulfanyl)phenyl]amino]-13-oxidanylidene-tridecanoic acid Openeye Name: 13-[2-(2-carboxyethylsulfanyl)anilino]-13-oxo-tridecanoic acid CAS Name: 13-[2-(2-carboxyethylthio)anilino]-13-oxotridecanoic acid IUPAC Name: 13-[2-(2-carboxyethylsulfanyl)anilino]-13-oxotridecanoic acid Traditional Name: 13-[2-(2-carboxyethylthio)anilino]-13-keto-tridecanoic acid Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO5S/c24-20(14-8-6-4-2-1-3-5-7-9-15-21(25)26)23-18-12-10-11-13-19(18)29-17-16-22(27)28/h10-13H,1-9,14-17H2,(H,23,24)(H,25,26)(H,27,28)