trisodium 3-phenylmethoxy-2-phosphonatooxy-propanoate

Systemtic Name: trisodium 3-phenylmethoxy-2-phosphonatooxy-propanoate Openeye Name: trisodium 3-benzyloxy-2-phosphonatooxy-propanoate CAS Name: trisodium 3-phenylmethoxy-2-phosphonatooxypropanoate IUPAC Name: trisodium 3-phenylmethoxy-2-phosphonatooxypropanoate Traditional Name: trisodium 3-benzoxy-2-phosphato-propionate Formula: C10H10Na3O7P MolecularWeight: 342.125271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13O7P.3Na/c11-10(12)9(17-18(13,14)15)7-16-6-8-4-2-1-3-5-8;;;/h1-5,9H,6-7H2,(H,11,12)(H2,13,14,15);;;/q;3*+1/p-3