sodium 4-(2-phosphonatoethyl)benzene-1,2-diol

Systemtic Name: sodium 4-(2-phosphonatoethyl)benzene-1,2-diol Openeye Name: sodium 4-(2-phosphonatoethyl)benzene-1,2-diol CAS Name: sodium 4-(2-phosphonatoethyl)benzene-1,2-diol IUPAC Name: sodium 4-(2-phosphonatoethyl)benzene-1,2-diol Traditional Name: sodium 4-(2-phosphonatoethyl)pyrocatechol Formula: C8H9NaO5P- MolecularWeight: 239.117591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCP(=O)([O-])[O-])O)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1CCP(=O)([O-])[O-])O)O.[Na+]

InChI

InChI=1S/C8H11O5P.Na/c9-7-2-1-6(5-8(7)10)3-4-14(11,12)13;/h1-2,5,9-10H,3-4H2,(H2,11,12,13);/q;+1/p-2