3-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]benzotriazole-5-carboxylic acid

Systemtic Name: 3-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]benzotriazole-5-carboxylic acid Openeye Name: 3-[3-(4-octylphenoxy)-2-oxo-propyl]benzotriazole-5-carboxylic acid CAS Name: 3-[3-(4-octylphenoxy)-2-oxopropyl]-5-benzotriazolecarboxylic acid IUPAC Name: 3-[3-(4-octylphenoxy)-2-oxopropyl]benzotriazole-5-carboxylic acid Traditional Name: 3-[2-keto-3-(4-octylphenoxy)propyl]benzotriazole-5-carboxylic acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C3=C(C=CC(=C3)C(=O)O)N=N2

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C3=C(C=CC(=C3)C(=O)O)N=N2

InChI

InChI=1S/C24H29N3O4/c1-2-3-4-5-6-7-8-18-9-12-21(13-10-18)31-17-20(28)16-27-23-15-19(24(29)30)11-14-22(23)25-26-27/h9-15H,2-8,16-17H2,1H3,(H,29,30)