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

Systemtic Name: (Z)-3-(4-bromophenyl)-2-diazonio-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-prop-1-en-1-olate Openeye Name: (Z)-3-(4-bromophenyl)-2-diazonio-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]prop-1-en-1-olate CAS Name: (Z)-3-(4-bromophenyl)-2-diazonio-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propen-1-olate IUPAC Name: (Z)-3-(4-bromophenyl)-2-diazonio-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyprop-1-en-1-olate Traditional Name: (Z)-3-(4-bromophenyl)-2-diazonio-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]prop-1-en-1-olate Formula: C19H25BrN2O2 MolecularWeight: 393.318

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H25BrN2O2/c1-12(2)16-9-4-13(3)10-18(16)24-19(23)17(22-21)11-14-5-7-15(20)8-6-14/h5-8,12-13,16,18H,4,9-11H2,1-3H3/b19-17-/t13-,16+,18-/m1/s1