sodium 6-[[(Z)-cyclohexa-2,4-dien-1-ylidene(sulfo)methyl]diazenyl]pyridine-3-carboxylic acid

Systemtic Name: sodium 6-[[(Z)-cyclohexa-2,4-dien-1-ylidene(sulfo)methyl]diazenyl]pyridine-3-carboxylic acid Openeye Name: sodium 6-[(Z)-cyclohexa-2,4-dien-1-ylidene(sulfo)methyl]azopyridine-3-carboxylic acid CAS Name: sodium 6-[(Z)-1-cyclohexa-2,4-dienylidene(sulfo)methyl]azo-3-pyridinecarboxylic acid IUPAC Name: sodium 6-[[(Z)-cyclohexa-2,4-dien-1-ylidene(sulfo)methyl]diazenyl]pyridine-3-carboxylic acid Traditional Name: sodium 6-[(Z)-cyclohexa-2,4-dien-1-ylidene(sulfo)methyl]azonicotinic acid Formula: C13H10N3NaO5S MolecularWeight: 343.29037

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=CC1=C(N=NC2=NC=C(C=C2)C(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

[CH-]\1C=CC=C/C1=C(/N=NC2=NC=C(C=C2)C(=O)O)\S(=O)(=O)O.[Na+]

InChI

InChI=1S/C13H10N3O5S.Na/c17-13(18)10-6-7-11(14-8-10)15-16-12(22(19,20)21)9-4-2-1-3-5-9;/h1-8H,(H,17,18)(H,19,20,21);/q-1;+1