(E)-4-(3-cyclopentyloxy-4-methoxy-phenyl)-1-diazonio-6-phenyl-hex-1-en-5-yn-2-olate

Systemtic Name: (E)-4-(3-cyclopentyloxy-4-methoxy-phenyl)-1-diazonio-6-phenyl-hex-1-en-5-yn-2-olate Openeye Name: (E)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-diazonio-6-phenyl-hex-1-en-5-yn-2-olate CAS Name: (E)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-diazonio-6-phenyl-2-hex-1-en-5-ynolate IUPAC Name: (E)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-diazonio-6-phenylhex-1-en-5-yn-2-olate Traditional Name: (E)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-diazonio-6-phenyl-hex-1-en-5-yn-2-olate Formula: C24H24N2O3 MolecularWeight: 388.45896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=C[N+]#N)[O-])C#CC2=CC=CC=C2)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(C/C(=C\[N+]#N)/[O-])C#CC2=CC=CC=C2)OC3CCCC3

InChI

InChI=1S/C24H24N2O3/c1-28-23-14-13-20(16-24(23)29-22-9-5-6-10-22)19(15-21(27)17-26-25)12-11-18-7-3-2-4-8-18/h2-4,7-8,13-14,16-17,19,22H,5-6,9-10,15H2,1H3/b21-17+