2-[4-(diphosphonatomethylsulfanyl)phenyl]sulfanyl-N,N-dimethyl-ethanamine

Systemtic Name: 2-[4-(diphosphonatomethylsulfanyl)phenyl]sulfanyl-N,N-dimethyl-ethanamine Openeye Name: 2-[4-(diphosphonatomethylsulfanyl)phenyl]sulfanyl-N,N-dimethyl-ethanamine CAS Name: 2-[[4-(diphosphonatomethylthio)phenyl]thio]-N,N-dimethylethanamine IUPAC Name: 2-[4-(diphosphonatomethylsulfanyl)phenyl]sulfanyl-N,N-dimethylethanamine Traditional Name: 2-[[4-(diphosphonatomethylthio)phenyl]thio]ethyl-dimethyl-amine Formula: C11H15NO6P2S2-4 MolecularWeight: 383.317422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=CC=C(C=C1)SC(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CN(C)CCSC1=CC=C(C=C1)SC(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C11H19NO6P2S2/c1-12(2)7-8-21-9-3-5-10(6-4-9)22-11(19(13,14)15)20(16,17)18/h3-6,11H,7-8H2,1-2H3,(H2,13,14,15)(H2,16,17,18)/p-4