1-[8-(benzotriazol-1-yl)-3,8-diethoxy-1,10-diphenyl-deca-1,9-diyn-3-yl]benzotriazole

Systemtic Name: 1-[8-(benzotriazol-1-yl)-3,8-diethoxy-1,10-diphenyl-deca-1,9-diyn-3-yl]benzotriazole Openeye Name: 1-[6-(benzotriazol-1-yl)-1,6-diethoxy-8-phenyl-1-(2-phenylethynyl)oct-7-ynyl]benzotriazole CAS Name: 1-[8-(1-benzotriazolyl)-3,8-diethoxy-1,10-diphenyldeca-1,9-diyn-3-yl]benzotriazole IUPAC Name: 1-[8-(benzotriazol-1-yl)-3,8-diethoxy-1,10-diphenyldeca-1,9-diyn-3-yl]benzotriazole Traditional Name: 1-[6-(benzotriazol-1-yl)-1,6-diethoxy-8-phenyl-1-(2-phenylethynyl)oct-7-ynyl]benzotriazole Formula: C38H36N6O2 MolecularWeight: 608.73144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCCC(C#CC1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)OCC)(C#CC4=CC=CC=C4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

CCOC(CCCCC(C#CC1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)OCC)(C#CC4=CC=CC=C4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C38H36N6O2/c1-3-45-37(29-25-31-17-7-5-8-18-31,43-35-23-13-11-21-33(35)39-41-43)27-15-16-28-38(46-4-2,30-26-32-19-9-6-10-20-32)44-36-24-14-12-22-34(36)40-42-44/h5-14,17-24H,3-4,15-16,27-28H2,1-2H3