14-oxidanylidene-14-[[2-(4-sulfobutylsulfanyl)phenyl]amino]tetradecanoic acid

Systemtic Name: 14-oxidanylidene-14-[[2-(4-sulfobutylsulfanyl)phenyl]amino]tetradecanoic acid Openeye Name: 14-oxo-14-[2-(4-sulfobutylsulfanyl)anilino]tetradecanoic acid CAS Name: 14-oxo-14-[2-(4-sulfobutylthio)anilino]tetradecanoic acid IUPAC Name: 14-oxo-14-[2-(4-sulfobutylsulfanyl)anilino]tetradecanoic acid Traditional Name: 14-keto-14-[2-(4-sulfobutylthio)anilino]myristic acid Formula: C24H39NO6S2 MolecularWeight: 501.69956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39NO6S2/c26-23(17-9-7-5-3-1-2-4-6-8-10-18-24(27)28)25-21-15-11-12-16-22(21)32-19-13-14-20-33(29,30)31/h11-12,15-16H,1-10,13-14,17-20H2,(H,25,26)(H,27,28)(H,29,30,31)