4-[4-(2-oxidanylbutan-2-yl)-1,2,3-triazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(2-oxidanylbutan-2-yl)-1,2,3-triazol-1-yl]benzenesulfonic acid Openeye Name: 4-[4-(1-hydroxy-1-methyl-propyl)triazol-1-yl]benzenesulfonic acid CAS Name: 4-[4-(2-hydroxybutan-2-yl)-1-triazolyl]benzenesulfonic acid IUPAC Name: 4-[4-(2-hydroxybutan-2-yl)triazol-1-yl]benzenesulfonic acid Traditional Name: 4-[4-(1-hydroxy-1-methyl-propyl)triazol-1-yl]besylic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=CN(N=N1)C2=CC=C(C=C2)S(=O)(=O)O)O

Isomeric SMILES

CCC(C)(C1=CN(N=N1)C2=CC=C(C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C12H15N3O4S/c1-3-12(2,16)11-8-15(14-13-11)9-4-6-10(7-5-9)20(17,18)19/h4-8,16H,3H2,1-2H3,(H,17,18,19)