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

Systemtic Name: 3-[4-(1-oxidanylbutyl)-1,2,3-triazol-1-yl]benzenesulfonic acid Openeye Name: 3-[4-(1-hydroxybutyl)triazol-1-yl]benzenesulfonic acid CAS Name: 3-[4-(1-hydroxybutyl)-1-triazolyl]benzenesulfonic acid IUPAC Name: 3-[4-(1-hydroxybutyl)triazol-1-yl]benzenesulfonic acid Traditional Name: 3-[4-(1-hydroxybutyl)triazol-1-yl]besylic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN(N=N1)C2=CC(=CC=C2)S(=O)(=O)O)O

Isomeric SMILES

CCCC(C1=CN(N=N1)C2=CC(=CC=C2)S(=O)(=O)O)O

InChI

InChI=1S/C12H15N3O4S/c1-2-4-12(16)11-8-15(14-13-11)9-5-3-6-10(7-9)20(17,18)19/h3,5-8,12,16H,2,4H2,1H3,(H,17,18,19)