5-(2-methylpropyl)-1-sulfo-benzotriazole-4-carboxylic acid

Systemtic Name: 5-(2-methylpropyl)-1-sulfo-benzotriazole-4-carboxylic acid Openeye Name: 5-isobutyl-1-sulfo-benzotriazole-4-carboxylic acid CAS Name: 5-(2-methylpropyl)-1-sulfo-4-benzotriazolecarboxylic acid IUPAC Name: 5-(2-methylpropyl)-1-sulfobenzotriazole-4-carboxylic acid Traditional Name: 5-isobutyl-1-sulfo-benzotriazole-4-carboxylic acid Formula: C11H13N3O5S MolecularWeight: 299.30302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C2=C(C=C1)N(N=N2)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1=C(C2=C(C=C1)N(N=N2)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C11H13N3O5S/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)