(E,5R)-1-diazonio-1-(3-methoxy-5-methyl-phenyl)-5-methyl-7-phenylmethoxy-hept-1-en-2-olate

Systemtic Name: (E,5R)-1-diazonio-1-(3-methoxy-5-methyl-phenyl)-5-methyl-7-phenylmethoxy-hept-1-en-2-olate Openeye Name: (E,5R)-7-benzyloxy-1-diazonio-1-(3-methoxy-5-methyl-phenyl)-5-methyl-hept-1-en-2-olate CAS Name: (E,5R)-1-diazonio-1-(3-methoxy-5-methylphenyl)-5-methyl-7-phenylmethoxy-1-hepten-2-olate IUPAC Name: (E,5R)-1-diazonio-1-(3-methoxy-5-methylphenyl)-5-methyl-7-phenylmethoxyhept-1-en-2-olate Traditional Name: (E,5R)-7-benzoxy-1-diazonio-1-(3-methoxy-5-methyl-phenyl)-5-methyl-hept-1-en-2-olate Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=C(CCC(C)CCOCC2=CC=CC=C2)[O-])[N+]#N)OC

Isomeric SMILES

CC1=CC(=CC(=C1)/C(=C(/CC[C@@H](C)CCOCC2=CC=CC=C2)\[O-])/[N+]#N)OC

InChI

InChI=1S/C23H28N2O3/c1-17(11-12-28-16-19-7-5-4-6-8-19)9-10-22(26)23(25-24)20-13-18(2)14-21(15-20)27-3/h4-8,13-15,17H,9-12,16H2,1-3H3/b23-22+/t17-/m1/s1