(Z)-2-diazonio-3-(4-methoxyphenyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-prop-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-3-(4-methoxyphenyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-prop-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-(4-methoxyphenyl)prop-1-en-1-olate CAS Name: (Z)-2-diazonio-3-(4-methoxyphenyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propen-1-olate IUPAC Name: (Z)-2-diazonio-3-(4-methoxyphenyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-en-1-olate Traditional Name: (Z)-2-diazonio-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-(4-methoxyphenyl)prop-1-en-1-olate Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=C(CC2=CC=C(C=C2)OC)[N+]#N)[O-])C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O/C(=C(/CC2=CC=C(C=C2)OC)\[N+]#N)/[O-])C(C)C

InChI

InChI=1S/C20H28N2O3/c1-13(2)17-10-5-14(3)11-19(17)25-20(23)18(22-21)12-15-6-8-16(24-4)9-7-15/h6-9,13-14,17,19H,5,10-12H2,1-4H3/b20-18-/t14-,17+,19-/m1/s1