sodium 5-(2-methylpropyl)-1-sulfonato-1H-benzotriazol-1-ium-4-carboxylate

Systemtic Name: sodium 5-(2-methylpropyl)-1-sulfonato-1H-benzotriazol-1-ium-4-carboxylate Openeye Name: sodium 5-isobutyl-1-sulfonato-1H-benzotriazol-1-ium-4-carboxylate CAS Name: sodium 5-(2-methylpropyl)-1-sulfonato-1H-benzotriazol-1-ium-4-carboxylate IUPAC Name: sodium 5-(2-methylpropyl)-1-sulfonato-1H-benzotriazol-1-ium-4-carboxylate Traditional Name: sodium 5-isobutyl-1-sulfonato-1H-benzotriazol-1-ium-4-carboxylate Formula: C11H12N3NaO5S MolecularWeight: 321.28485

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C2=C(C=C1)[NH+](N=N2)S(=O)(=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC1=C(C2=C(C=C1)[NH+](N=N2)S(=O)(=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C11H13N3O5S.Na/c1-6(2)5-7-3-4-8-10(9(7)11(15)16)12-13-14(8)20(17,18)19;/h3-4,6H,5H2,1-2H3,(H,15,16)(H,17,18,19);/q;+1/p-1