3-(benzotriazol-2-yl)-5-(2-methylbutan-2-yl)-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-(benzotriazol-2-yl)-5-(2-methylbutan-2-yl)-4-oxidanyl-benzenesulfonic acid Openeye Name: 3-(benzotriazol-2-yl)-5-(1,1-dimethylpropyl)-4-hydroxy-benzenesulfonic acid CAS Name: 3-(2-benzotriazolyl)-4-hydroxy-5-(2-methylbutan-2-yl)benzenesulfonic acid IUPAC Name: 3-(benzotriazol-2-yl)-4-hydroxy-5-(2-methylbutan-2-yl)benzenesulfonic acid Traditional Name: 3-tert-amyl-5-(benzotriazol-2-yl)-4-hydroxy-besylic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)O

InChI

InChI=1S/C17H19N3O4S/c1-4-17(2,3)12-9-11(25(22,23)24)10-15(16(12)21)20-18-13-7-5-6-8-14(13)19-20/h5-10,21H,4H2,1-3H3,(H,22,23,24)