1-(3,3-dimethyl-2-octyl-oxiran-2-yl)benzotriazole

Systemtic Name: 1-(3,3-dimethyl-2-octyl-oxiran-2-yl)benzotriazole Openeye Name: 1-(3,3-dimethyl-2-octyl-oxiran-2-yl)benzotriazole CAS Name: 1-(3,3-dimethyl-2-octyl-2-oxiranyl)benzotriazole IUPAC Name: 1-(3,3-dimethyl-2-octyloxiran-2-yl)benzotriazole Traditional Name: 1-(3,3-dimethyl-2-octyl-oxiran-2-yl)benzotriazole Formula: C18H27N3O MolecularWeight: 301.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(O1)(C)C)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCCCCC1(C(O1)(C)C)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H27N3O/c1-4-5-6-7-8-11-14-18(17(2,3)22-18)21-16-13-10-9-12-15(16)19-20-21/h9-10,12-13H,4-8,11,14H2,1-3H3