(3Z)-5-butan-2-yl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: (3Z)-5-butan-2-yl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: (3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-5-sec-butyl-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: (3Z)-5-butan-2-yl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: (3Z)-5-butan-2-yl-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: (3Z)-3-(1,2-dihydrobenzotriazol-4-ylidene)-4-keto-5-sec-butyl-cyclohexa-1,5-diene-1-sulfonic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C2C=CC=C3C2=NNN3)C1=O)S(=O)(=O)O

Isomeric SMILES

CCC(C)C1=CC(=C/C(=C/2\C=CC=C3C2=NNN3)/C1=O)S(=O)(=O)O

InChI

InChI=1S/C16H17N3O4S/c1-3-9(2)12-7-10(24(21,22)23)8-13(16(12)20)11-5-4-6-14-15(11)18-19-17-14/h4-9,17,19H,3H2,1-2H3,(H,21,22,23)/b13-11-