1-(4-methylpentyl)benzotriazole-5-carboxylic acid

Systemtic Name: 1-(4-methylpentyl)benzotriazole-5-carboxylic acid Openeye Name: 1-isohexylbenzotriazole-5-carboxylic acid CAS Name: 1-(4-methylpentyl)-5-benzotriazolecarboxylic acid IUPAC Name: 1-(4-methylpentyl)benzotriazole-5-carboxylic acid Traditional Name: 1-isohexylbenzotriazole-5-carboxylic acid Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1C2=C(C=C(C=C2)C(=O)O)N=N1

Isomeric SMILES

CC(C)CCCN1C2=C(C=C(C=C2)C(=O)O)N=N1

InChI

InChI=1S/C13H17N3O2/c1-9(2)4-3-7-16-12-6-5-10(13(17)18)8-11(12)14-15-16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)