1-[(E)-5-ethoxy-1-phenyl-pentadec-1-en-3-yn-5-yl]benzotriazole

Systemtic Name: 1-[(E)-5-ethoxy-1-phenyl-pentadec-1-en-3-yn-5-yl]benzotriazole Openeye Name: 1-[1-ethoxy-1-[(E)-4-phenylbut-3-en-1-ynyl]undecyl]benzotriazole CAS Name: 1-[(E)-5-ethoxy-1-phenylpentadec-1-en-3-yn-5-yl]benzotriazole IUPAC Name: 1-[(E)-5-ethoxy-1-phenylpentadec-1-en-3-yn-5-yl]benzotriazole Traditional Name: 1-[(E)-1-decyl-1-ethoxy-5-phenyl-pent-4-en-2-ynyl]benzotriazole Formula: C29H37N3O MolecularWeight: 443.62358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C#CC=CC1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)OCC

Isomeric SMILES

CCCCCCCCCCC(C#C/C=C/C1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)OCC

InChI

InChI=1S/C29H37N3O/c1-3-5-6-7-8-9-10-17-24-29(33-4-2,25-18-16-21-26-19-12-11-13-20-26)32-28-23-15-14-22-27(28)30-31-32/h11-16,19-23H,3-10,17,24H2,1-2H3/b21-16+