2-(4-azanyl-2-oxidanyl-phenyl)benzotriazole-5-sulfonic acid

Systemtic Name: 2-(4-azanyl-2-oxidanyl-phenyl)benzotriazole-5-sulfonic acid Openeye Name: 2-(4-amino-2-hydroxy-phenyl)benzotriazole-5-sulfonic acid CAS Name: 2-(4-amino-2-hydroxyphenyl)-5-benzotriazolesulfonic acid IUPAC Name: 2-(4-amino-2-hydroxyphenyl)benzotriazole-5-sulfonic acid Traditional Name: 2-(4-amino-2-hydroxy-phenyl)benzotriazole-5-sulfonic acid Formula: C12H10N4O4S MolecularWeight: 306.2972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)O)N2N=C3C=CC(=CC3=N2)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)O)N2N=C3C=CC(=CC3=N2)S(=O)(=O)O

InChI

InChI=1S/C12H10N4O4S/c13-7-1-4-11(12(17)5-7)16-14-9-3-2-8(21(18,19)20)6-10(9)15-16/h1-6,17H,13H2,(H,18,19,20)