(3Z)-2-methyl-4-(oxidanylidenemethylidene)-3-(pyridin-2-ylhydrazinylidene)cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: (3Z)-2-methyl-4-(oxidanylidenemethylidene)-3-(pyridin-2-ylhydrazinylidene)cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: (3Z)-2-methyl-4-(oxomethylene)-3-(2-pyridylhydrazono)cyclohexa-1,5-diene-1-sulfonic acid CAS Name: (3Z)-2-methyl-4-(oxomethylidene)-3-(2-pyridinylhydrazinylidene)-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: (3Z)-2-methyl-4-(oxomethylidene)-3-(pyridin-2-ylhydrazinylidene)cyclohexa-1,5-diene-1-sulfonic acid Traditional Name: (3Z)-4-(ketomethylene)-2-methyl-3-(2-pyridylhydrazono)cyclohexa-1,5-diene-1-sulfonic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C=O)C1=NNC2=CC=CC=N2)S(=O)(=O)O

Isomeric SMILES

CC\1=C(C=CC(=C=O)/C1=N/NC2=CC=CC=N2)S(=O)(=O)O

InChI

InChI=1S/C13H11N3O4S/c1-9-11(21(18,19)20)6-5-10(8-17)13(9)16-15-12-4-2-3-7-14-12/h2-7H,1H3,(H,14,15)(H,18,19,20)/b16-13+