sodium (5R,6S)-4-ethyl-5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: sodium (5R,6S)-4-ethyl-5,6-bis(oxidanyl)cyclohexa-1,3-diene-1-carboxylate Openeye Name: sodium (5R,6S)-4-ethyl-5,6-dihydroxy-cyclohexa-1,3-diene-1-carboxylate CAS Name: sodium (5R,6S)-4-ethyl-5,6-dihydroxy-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: sodium (5R,6S)-4-ethyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate Traditional Name: sodium (5R,6S)-4-ethyl-5,6-dihydroxy-cyclohexa-1,3-diene-1-carboxylate Formula: C9H11NaO4 MolecularWeight: 206.17101

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C(C1O)O)C(=O)[O-].[Na+]

Isomeric SMILES

CCC1=CC=C([C@@H]([C@@H]1O)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C9H12O4.Na/c1-2-5-3-4-6(9(12)13)8(11)7(5)10;/h3-4,7-8,10-11H,2H2,1H3,(H,12,13);/q;+1/p-1/t7-,8+;/m1./s1