(Z,3R)-3-(cyclohexen-1-ylmethoxy)-1-diazonio-6-[(4-methoxyphenyl)methoxy]hex-1-en-2-olate

Systemtic Name: (Z,3R)-3-(cyclohexen-1-ylmethoxy)-1-diazonio-6-[(4-methoxyphenyl)methoxy]hex-1-en-2-olate Openeye Name: (Z,3R)-3-(cyclohexen-1-ylmethoxy)-1-diazonio-6-[(4-methoxyphenyl)methoxy]hex-1-en-2-olate CAS Name: (Z,3R)-3-(1-cyclohexenylmethoxy)-1-diazonio-6-[(4-methoxyphenyl)methoxy]-1-hexen-2-olate IUPAC Name: (Z,3R)-3-(cyclohexen-1-ylmethoxy)-1-diazonio-6-[(4-methoxyphenyl)methoxy]hex-1-en-2-olate Traditional Name: (Z,3R)-3-(cyclohexen-1-ylmethoxy)-1-diazonio-6-p-anisyloxy-hex-1-en-2-olate Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCCCC(C(=C[N+]#N)[O-])OCC2=CCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)COCCC[C@H](/C(=C/[N+]#N)/[O-])OCC2=CCCCC2

InChI

InChI=1S/C21H28N2O4/c1-25-19-11-9-18(10-12-19)15-26-13-5-8-21(20(24)14-23-22)27-16-17-6-3-2-4-7-17/h6,9-12,14,21H,2-5,7-8,13,15-16H2,1H3/b20-14-/t21-/m1/s1