6-(benzotriazol-1-yl)-2-butyl-3-oxidanyl-benzenesulfonic acid

Systemtic Name: 6-(benzotriazol-1-yl)-2-butyl-3-oxidanyl-benzenesulfonic acid Openeye Name: 6-(benzotriazol-1-yl)-2-butyl-3-hydroxy-benzenesulfonic acid CAS Name: 6-(1-benzotriazolyl)-2-butyl-3-hydroxybenzenesulfonic acid IUPAC Name: 6-(benzotriazol-1-yl)-2-butyl-3-hydroxybenzenesulfonic acid Traditional Name: 6-(benzotriazol-1-yl)-2-butyl-3-hydroxy-besylic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1S(=O)(=O)O)N2C3=CC=CC=C3N=N2)O

Isomeric SMILES

CCCCC1=C(C=CC(=C1S(=O)(=O)O)N2C3=CC=CC=C3N=N2)O

InChI

InChI=1S/C16H17N3O4S/c1-2-3-6-11-15(20)10-9-14(16(11)24(21,22)23)19-13-8-5-4-7-12(13)17-18-19/h4-5,7-10,20H,2-3,6H2,1H3,(H,21,22,23)