[4-(3-oxidanidylbenzotriazol-5-yl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate

Systemtic Name: [4-(3-oxidanidylbenzotriazol-5-yl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Openeye Name: [4-(3-oxidobenzotriazol-5-yl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate CAS Name: [4-[(3-oxido-5-benzotriazolyl)sulfonylimino]-1-cyclohexa-2,5-dienylidene]methanediolate IUPAC Name: [4-(3-oxidobenzotriazol-5-yl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Traditional Name: [4-(3-oxidobenzotriazol-5-yl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanediolate Formula: C13H7N4O5S-3 MolecularWeight: 331.28348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NS(=O)(=O)C2=CC3=C(C=C2)N=NN3[O-])C=CC1=C([O-])[O-]

Isomeric SMILES

C1=CC(=NS(=O)(=O)C2=CC3=C(C=C2)N=NN3[O-])C=CC1=C([O-])[O-]

InChI

InChI=1S/C13H9N4O5S/c18-13(19)8-1-3-9(4-2-8)15-23(21,22)10-5-6-11-12(7-10)17(20)16-14-11/h1-7,18-19H/q-1/p-2