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

Systemtic Name: 3-(benzotriazol-2-yl)-5-butyl-4-oxidanyl-benzenesulfonic acid Openeye Name: 3-(benzotriazol-2-yl)-5-butyl-4-hydroxy-benzenesulfonic acid CAS Name: 3-(2-benzotriazolyl)-5-butyl-4-hydroxybenzenesulfonic acid IUPAC Name: 3-(benzotriazol-2-yl)-5-butyl-4-hydroxybenzenesulfonic acid Traditional Name: 3-(benzotriazol-2-yl)-5-butyl-4-hydroxy-besylic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)O

InChI

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