sodium 4-[[[(E)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: sodium 4-[[[(E)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: sodium 4-[[[(E)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: sodium 4-[[[(E)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: sodium 4-[[[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: sodium 4-[[[(E)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]cyclohexanecarboxylate Formula: C15H18NNaO4 MolecularWeight: 299.29749

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC=C2C=CC(=O)C(=C2)O)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC(CCC1CN/C=C/2\C=CC(=O)C(=C2)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H19NO4.Na/c17-13-6-3-11(7-14(13)18)9-16-8-10-1-4-12(5-2-10)15(19)20;/h3,6-7,9-10,12,16,18H,1-2,4-5,8H2,(H,19,20);/q;+1/p-1/b11-9+;