pentasodium; [1-bis(oxidanyl)phosphanyl-1-oxidanyl-2-phenyl-ethyl]-oxidanyl-phosphinate; methanal; dihydrate

Systemtic Name: pentasodium; [1-bis(oxidanyl)phosphanyl-1-oxidanyl-2-phenyl-ethyl]-oxidanyl-phosphinate; methanal; dihydrate Openeye Name: pentasodium; (1-dihydroxyphosphanyl-1-hydroxy-2-phenyl-ethyl)-hydroxy-phosphinate; formaldehyde; dihydrate CAS Name: pentasodium; (1-dihydroxyphosphino-1-hydroxy-2-phenylethyl)-hydroxyphosphinate; formaldehyde; dihydrate IUPAC Name: pentasodium; (1-dihydroxyphosphanyl-1-hydroxy-2-phenylethyl)-hydroxyphosphinate; formaldehyde; dihydrate Traditional Name: pentasodium; (1-dihydroxyphosphino-1-hydroxy-2-phenyl-ethyl)-hydroxy-phosphinate; formaldehyde; dihydrate Formula: C45H69Na5O37P10 MolecularWeight: 1626.69362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/5C8H12O6P2.5CH2O.5Na.2H2O/c5*9-8(15(10)11,16(12,13)14)6-7-4-2-1-3-5-7;5*1-2;;;;;;;/h5*1-5,9-11H,6H2,(H2,12,13,14);5*1H2;;;;;;2*1H2/q;;;;;;;;;;5*+1;;/p-5