sodium 4-[[[(Z)-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: sodium 4-[[[(Z)-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: sodium 4-[[[(Z)-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: sodium 4-[[[(Z)-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: sodium 4-[[[(Z)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: sodium 4-[[[(Z)-(5-hydroxy-6-keto-cyclohexa-2,4-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=C(C2=O)O)C(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4.Na/c17-13-3-1-2-12(14(13)18)9-16-8-10-4-6-11(7-5-10)15(19)20;/h1-3,9-11,16-17H,4-8H2,(H,19,20);/q;+1/p-1/b12-9-;