trisodium; methanol; 2-[oxidanidyl-(3-oxidanidyl-3-oxidanylidene-propyl)phosphoryl]-2,3-dihydro-1H-indene-1-carboxylate

Systemtic Name: trisodium; methanol; 2-[oxidanidyl-(3-oxidanidyl-3-oxidanylidene-propyl)phosphoryl]-2,3-dihydro-1H-indene-1-carboxylate Openeye Name: trisodium; methanol; 2-[oxido-(3-oxido-3-oxo-propyl)phosphoryl]indane-1-carboxylate CAS Name: trisodium; methanol; 2-[oxido-(3-oxido-3-oxopropyl)phosphoryl]-2,3-dihydro-1H-indene-1-carboxylate IUPAC Name: trisodium; methanol; 2-[oxido-(3-oxido-3-oxopropyl)phosphoryl]-2,3-dihydro-1H-indene-1-carboxylate Traditional Name: trisodium; 2-[(3-keto-3-oxido-propyl)-oxido-phosphoryl]indane-1-carboxylate; methanol Formula: C14H16Na3O7P MolecularWeight: 396.215711

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Descriptors Computed from Structure

Canonical SMILES:

CO.C1C(C(C2=CC=CC=C21)C(=O)[O-])P(=O)(CCC(=O)[O-])[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CO.C1C(C(C2=CC=CC=C21)C(=O)[O-])P(=O)(CCC(=O)[O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C13H15O6P.CH4O.3Na/c14-11(15)5-6-20(18,19)10-7-8-3-1-2-4-9(8)12(10)13(16)17;1-2;;;/h1-4,10,12H,5-7H2,(H,14,15)(H,16,17)(H,18,19);2H,1H3;;;/q;;3*+1/p-3