9-oxidanylidene-9-[[2-(4-sulfobutylsulfanyl)phenyl]amino]nonanoic acid

Systemtic Name: 9-oxidanylidene-9-[[2-(4-sulfobutylsulfanyl)phenyl]amino]nonanoic acid Openeye Name: 9-oxo-9-[2-(4-sulfobutylsulfanyl)anilino]nonanoic acid CAS Name: 9-oxo-9-[2-(4-sulfobutylthio)anilino]nonanoic acid IUPAC Name: 9-oxo-9-[2-(4-sulfobutylsulfanyl)anilino]nonanoic acid Traditional Name: 9-keto-9-[2-(4-sulfobutylthio)anilino]pelargonic acid Formula: C19H29NO6S2 MolecularWeight: 431.56666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCC(=O)O)SCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCC(=O)O)SCCCCS(=O)(=O)O

InChI

InChI=1S/C19H29NO6S2/c21-18(12-4-2-1-3-5-13-19(22)23)20-16-10-6-7-11-17(16)27-14-8-9-15-28(24,25)26/h6-7,10-11H,1-5,8-9,12-15H2,(H,20,21)(H,22,23)(H,24,25,26)