19-oxidanylidene-19-[[2-(4-sulfobutylsulfanyl)phenyl]amino]nonadecanoic acid

Systemtic Name: 19-oxidanylidene-19-[[2-(4-sulfobutylsulfanyl)phenyl]amino]nonadecanoic acid Openeye Name: 19-oxo-19-[2-(4-sulfobutylsulfanyl)anilino]nonadecanoic acid CAS Name: 19-oxo-19-[2-(4-sulfobutylthio)anilino]nonadecanoic acid IUPAC Name: 19-oxo-19-[2-(4-sulfobutylsulfanyl)anilino]nonadecanoic acid Traditional Name: 19-keto-19-[2-(4-sulfobutylthio)anilino]nonadecanoic acid Formula: C29H49NO6S2 MolecularWeight: 571.83246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49NO6S2/c31-28(30-26-20-16-17-21-27(26)37-24-18-19-25-38(34,35)36)22-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-23-29(32)33/h16-17,20-21H,1-15,18-19,22-25H2,(H,30,31)(H,32,33)(H,34,35,36)