sodium 5-[2-(phenylmethoxycarbonylamino)ethyl]-2-phosphonooxy-phenolate

Systemtic Name: sodium 5-[2-(phenylmethoxycarbonylamino)ethyl]-2-phosphonooxy-phenolate Openeye Name: sodium 5-[2-(benzyloxycarbonylamino)ethyl]-2-phosphonooxy-phenolate CAS Name: sodium 5-[2-(phenylmethoxycarbonylamino)ethyl]-2-phosphonooxyphenolate IUPAC Name: sodium 5-[2-(phenylmethoxycarbonylamino)ethyl]-2-phosphonooxyphenolate Traditional Name: sodium 5-[2-(benzyloxycarbonylamino)ethyl]-2-phosphonooxy-phenolate Formula: C16H17NNaO7P MolecularWeight: 389.272211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCC2=CC(=C(C=C2)OP(=O)(O)O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC2=CC(=C(C=C2)OP(=O)(O)O)[O-].[Na+]

InChI

InChI=1S/C16H18NO7P.Na/c18-14-10-12(6-7-15(14)24-25(20,21)22)8-9-17-16(19)23-11-13-4-2-1-3-5-13;/h1-7,10,18H,8-9,11H2,(H,17,19)(H2,20,21,22);/q;+1/p-1