[4-[[bis(phosphonatomethyl)azaniumyl]methyl]phenyl]methyl-bis(phosphonatomethyl)azanium

Systemtic Name: [4-[[bis(phosphonatomethyl)azaniumyl]methyl]phenyl]methyl-bis(phosphonatomethyl)azanium Openeye Name: [4-[[bis(phosphonatomethyl)ammonio]methyl]phenyl]methyl-bis(phosphonatomethyl)ammonium CAS Name: [4-[[bis(phosphonatomethyl)ammonio]methyl]phenyl]methyl-bis(phosphonatomethyl)ammonium IUPAC Name: [4-[[bis(phosphonatomethyl)azaniumyl]methyl]phenyl]methyl-bis(phosphonatomethyl)azanium Traditional Name: [4-[[bis(phosphonatomethyl)ammonio]methyl]benzyl]-bis(phosphonatomethyl)ammonium Formula: C12H18N2O12P4-6 MolecularWeight: 506.172564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH+](CP(=O)([O-])[O-])CP(=O)([O-])[O-])C[NH+](CP(=O)([O-])[O-])CP(=O)([O-])[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH+](CP(=O)([O-])[O-])CP(=O)([O-])[O-])C[NH+](CP(=O)([O-])[O-])CP(=O)([O-])[O-]

InChI

InChI=1S/C12H24N2O12P4/c15-27(16,17)7-13(8-28(18,19)20)5-11-1-2-12(4-3-11)6-14(9-29(21,22)23)10-30(24,25)26/h1-4H,5-10H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/p-6