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

Systemtic Name: 6-[[(Z)-cyclohexa-2,4-dien-1-ylidene(sulfo)methyl]diazenyl]pyridine-3-carboxylic acid Openeye Name: 6-[(Z)-cyclohexa-2,4-dien-1-ylidene(sulfo)methyl]azopyridine-3-carboxylic acid CAS Name: 6-[(Z)-1-cyclohexa-2,4-dienylidene(sulfo)methyl]azo-3-pyridinecarboxylic acid IUPAC Name: 6-[[(Z)-cyclohexa-2,4-dien-1-ylidene(sulfo)methyl]diazenyl]pyridine-3-carboxylic acid Traditional Name: 6-[(Z)-cyclohexa-2,4-dien-1-ylidene(sulfo)methyl]azonicotinic acid Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1=C(N=NC2=NC=C(C=C2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C\1C=CC=C/C1=C(/N=NC2=NC=C(C=C2)C(=O)O)\S(=O)(=O)O

InChI

InChI=1S/C13H11N3O5S/c17-13(18)10-6-7-11(14-8-10)15-16-12(22(19,20)21)9-4-2-1-3-5-9/h1-4,6-8H,5H2,(H,17,18)(H,19,20,21)/b12-9+,16-15?