trisodium [3,5-bis[[methoxy(oxidanidyl)phosphoryl]oxycarbonyl]phenyl]carbonyl methyl phosphate

Systemtic Name: trisodium [3,5-bis[[methoxy(oxidanidyl)phosphoryl]oxycarbonyl]phenyl]carbonyl methyl phosphate Openeye Name: trisodium [3,5-bis[[methoxy(oxido)phosphoryl]oxycarbonyl]benzoyl] methyl phosphate CAS Name: trisodium [[3,5-bis[[methoxy(oxido)phosphoryl]oxy-oxomethyl]phenyl]-oxomethyl] methyl phosphate IUPAC Name: trisodium [3,5-bis[[methoxy(oxido)phosphoryl]oxycarbonyl]benzoyl] methyl phosphate Traditional Name: trisodium [3,5-bis[[methoxy(oxido)phosphoryl]oxycarbonyl]benzoyl] methyl phosphate Formula: C12H12Na3O15P3 MolecularWeight: 558.105273

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)([O-])OC(=O)C1=CC(=CC(=C1)C(=O)OP(=O)([O-])OC)C(=O)OP(=O)([O-])OC.[Na+].[Na+].[Na+]

Isomeric SMILES

COP(=O)([O-])OC(=O)C1=CC(=CC(=C1)C(=O)OP(=O)([O-])OC)C(=O)OP(=O)([O-])OC.[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H15O15P3.3Na/c1-22-28(16,17)25-10(13)7-4-8(11(14)26-29(18,19)23-2)6-9(5-7)12(15)27-30(20,21)24-3;;;/h4-6H,1-3H3,(H,16,17)(H,18,19)(H,20,21);;;/q;3*+1/p-3