sodium [3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl] benzoate

Systemtic Name: sodium [3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl] benzoate Openeye Name: sodium (3,4,5,6-tetrahydroxy-2-oxo-hexyl) benzoate CAS Name: sodium benzoic acid (3,4,5,6-tetrahydroxy-2-oxohexyl) ester IUPAC Name: sodium (3,4,5,6-tetrahydroxy-2-oxohexyl) benzoate Traditional Name: sodium benzoic acid (3,4,5,6-tetrahydroxy-2-keto-hexyl) ester Formula: C13H16NaO7+ MolecularWeight: 307.25171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(=O)C(C(C(CO)O)O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(=O)C(C(C(CO)O)O)O.[Na+]

InChI

InChI=1S/C13H16O7.Na/c14-6-9(15)11(17)12(18)10(16)7-20-13(19)8-4-2-1-3-5-8;/h1-5,9,11-12,14-15,17-18H,6-7H2;/q;+1