disodium oxidanyl-(1-oxidanyl-2-phenyl-1-phosphono-ethyl)phosphinate pentahydrate

Systemtic Name: disodium oxidanyl-(1-oxidanyl-2-phenyl-1-phosphono-ethyl)phosphinate pentahydrate Openeye Name: disodium hydroxy-(1-hydroxy-2-phenyl-1-phosphono-ethyl)phosphinate pentahydrate CAS Name: disodium hydroxy-(1-hydroxy-2-phenyl-1-phosphonoethyl)phosphinate pentahydrate IUPAC Name: disodium hydroxy-(1-hydroxy-2-phenyl-1-phosphonoethyl)phosphinate pentahydrate Traditional Name: disodium hydroxy-(1-hydroxy-2-phenyl-1-phosphono-ethyl)phosphinate pentahydrate Formula: C16H32Na2O19P4 MolecularWeight: 698.288464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].C1=CC=C(C=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].O.O.O.O.O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].C1=CC=C(C=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].O.O.O.O.O.[Na+].[Na+]

InChI

InChI=1S/2C8H12O7P2.2Na.5H2O/c2*9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7;;;;;;;/h2*1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15);;;5*1H2/q;;2*+1;;;;;/p-2