[12-oxidanylidene-12-[[2-(6-phosphonohexylsulfanyl)phenyl]amino]dodecyl]phosphonic acid

Systemtic Name: [12-oxidanylidene-12-[[2-(6-phosphonohexylsulfanyl)phenyl]amino]dodecyl]phosphonic acid Openeye Name: [12-oxo-12-[2-(6-phosphonohexylsulfanyl)anilino]dodecyl]phosphonic acid CAS Name: 6-[[2-[(1-oxo-12-phosphonododecyl)amino]phenyl]thio]hexylphosphonic acid IUPAC Name: [12-oxo-12-[2-(6-phosphonohexylsulfanyl)anilino]dodecyl]phosphonic acid Traditional Name: [12-keto-12-[2-(6-phosphonohexylthio)anilino]dodecyl]phosphonic acid Formula: C24H43NO7P2S MolecularWeight: 551.613242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCP(=O)(O)O)SCCCCCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCP(=O)(O)O)SCCCCCCP(=O)(O)O

InChI

InChI=1S/C24H43NO7P2S/c26-24(18-10-6-4-2-1-3-5-7-13-19-33(27,28)29)25-22-16-11-12-17-23(22)35-21-15-9-8-14-20-34(30,31)32/h11-12,16-17H,1-10,13-15,18-21H2,(H,25,26)(H2,27,28,29)(H2,30,31,32)