sodium (3S)-3-[(4-hydroxyphenyl)methyl]-3,4-bis(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: sodium (3S)-3-[(4-hydroxyphenyl)methyl]-3,4-bis(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: sodium (3S)-3,4-dihydroxy-3-[(4-hydroxyphenyl)methyl]-4-oxo-butanoate CAS Name: sodium (3S)-3,4-dihydroxy-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoate IUPAC Name: sodium (3S)-3,4-dihydroxy-3-[(4-hydroxyphenyl)methyl]-4-oxobutanoate Traditional Name: sodium (3S)-3,4-dihydroxy-3-(4-hydroxybenzyl)-4-keto-butyrate Formula: C11H11NaO6 MolecularWeight: 262.19121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(=O)[O-])(C(=O)O)O)O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C[C@](CC(=O)[O-])(C(=O)O)O)O.[Na+]

InChI

InChI=1S/C11H12O6.Na/c12-8-3-1-7(2-4-8)5-11(17,10(15)16)6-9(13)14;/h1-4,12,17H,5-6H2,(H,13,14)(H,15,16);/q;+1/p-1/t11-;/m0./s1