sodium 4-(benzotriazol-1-yl)butane-1-sulfonate

Systemtic Name: sodium 4-(benzotriazol-1-yl)butane-1-sulfonate Openeye Name: sodium 4-(benzotriazol-1-yl)butane-1-sulfonate CAS Name: sodium 4-(1-benzotriazolyl)-1-butanesulfonate IUPAC Name: sodium 4-(benzotriazol-1-yl)butane-1-sulfonate Traditional Name: sodium 4-(benzotriazol-1-yl)butane-1-sulfonate Formula: C10H12N3NaO3S MolecularWeight: 277.27535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H13N3O3S.Na/c14-17(15,16)8-4-3-7-13-10-6-2-1-5-9(10)11-12-13;/h1-2,5-6H,3-4,7-8H2,(H,14,15,16);/q;+1/p-1