1-[(3S)-3-ethoxy-1-phenyl-undeca-1,5-diyn-3-yl]benzotriazole

Systemtic Name: 1-[(3S)-3-ethoxy-1-phenyl-undeca-1,5-diyn-3-yl]benzotriazole Openeye Name: 1-[(1S)-1-ethoxy-1-(2-phenylethynyl)non-3-ynyl]benzotriazole CAS Name: 1-[(3S)-3-ethoxy-1-phenylundeca-1,5-diyn-3-yl]benzotriazole IUPAC Name: 1-[(3S)-3-ethoxy-1-phenylundeca-1,5-diyn-3-yl]benzotriazole Traditional Name: 1-[(1S)-1-ethoxy-1-(2-phenylethynyl)non-3-ynyl]benzotriazole Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC#CC[C@](C#CC1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)OCC

InChI

InChI=1S/C25H27N3O/c1-3-5-6-7-8-14-20-25(29-4-2,21-19-22-15-10-9-11-16-22)28-24-18-13-12-17-23(24)26-27-28/h9-13,15-18H,3-7,20H2,1-2H3/t25-/m0/s1