sodium 2-[4-[(4-methoxy-3-oxidanyl-phenyl)methylcarbamoyl]-3,5-bis(oxidanyl)phenoxy]ethanoate

Systemtic Name: sodium 2-[4-[(4-methoxy-3-oxidanyl-phenyl)methylcarbamoyl]-3,5-bis(oxidanyl)phenoxy]ethanoate Openeye Name: sodium 2-[3,5-dihydroxy-4-[(3-hydroxy-4-methoxy-phenyl)methylcarbamoyl]phenoxy]acetate CAS Name: sodium 2-[3,5-dihydroxy-4-[[(3-hydroxy-4-methoxyphenyl)methylamino]-oxomethyl]phenoxy]acetate IUPAC Name: sodium 2-[3,5-dihydroxy-4-[(3-hydroxy-4-methoxyphenyl)methylcarbamoyl]phenoxy]acetate Traditional Name: sodium 2-[3,5-dihydroxy-4-[(3-hydroxy-4-methoxy-benzyl)carbamoyl]phenoxy]acetate Formula: C17H16NNaO8 MolecularWeight: 385.30061

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=C(C=C2O)OCC(=O)[O-])O)O.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=C(C=C2O)OCC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C17H17NO8.Na/c1-25-14-3-2-9(4-11(14)19)7-18-17(24)16-12(20)5-10(6-13(16)21)26-8-15(22)23;/h2-6,19-21H,7-8H2,1H3,(H,18,24)(H,22,23);/q;+1/p-1