sodium 5-(benzotriazol-2-yl)-2-butoxy-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 5-(benzotriazol-2-yl)-2-butoxy-4-oxidanyl-benzenesulfonate Openeye Name: sodium 5-(benzotriazol-2-yl)-2-butoxy-4-hydroxy-benzenesulfonate CAS Name: sodium 5-(2-benzotriazolyl)-2-butoxy-4-hydroxybenzenesulfonate IUPAC Name: sodium 5-(benzotriazol-2-yl)-2-butoxy-4-hydroxybenzenesulfonate Traditional Name: sodium 5-(benzotriazol-2-yl)-2-butoxy-4-hydroxy-besylate Formula: C16H16N3NaO5S MolecularWeight: 385.37011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)O)N2N=C3C=CC=CC3=N2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)O)N2N=C3C=CC=CC3=N2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H17N3O5S.Na/c1-2-3-8-24-15-10-14(20)13(9-16(15)25(21,22)23)19-17-11-6-4-5-7-12(11)18-19;/h4-7,9-10,20H,2-3,8H2,1H3,(H,21,22,23);/q;+1/p-1