(Z)-1-[(1S,2S,5R)-2-tert-butyl-5-methyl-cyclohexyl]oxy-2-diazonio-3-oxidanylidene-6-phenyl-hex-1-en-1-olate

Systemtic Name: (Z)-1-[(1S,2S,5R)-2-tert-butyl-5-methyl-cyclohexyl]oxy-2-diazonio-3-oxidanylidene-6-phenyl-hex-1-en-1-olate Openeye Name: (Z)-1-[(1S,2S,5R)-2-tert-butyl-5-methyl-cyclohexoxy]-2-diazonio-3-oxo-6-phenyl-hex-1-en-1-olate CAS Name: (Z)-1-[(1S,2S,5R)-2-tert-butyl-5-methylcyclohexyl]oxy-2-diazonio-3-oxo-6-phenyl-1-hexen-1-olate IUPAC Name: (Z)-1-[(1S,2S,5R)-2-tert-butyl-5-methylcyclohexyl]oxy-2-diazonio-3-oxo-6-phenylhex-1-en-1-olate Traditional Name: (Z)-1-[(1S,2S,5R)-2-tert-butyl-5-methyl-cyclohexoxy]-2-diazonio-3-keto-6-phenyl-hex-1-en-1-olate Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=C(C(=O)CCCC2=CC=CC=C2)[N+]#N)[O-])C(C)(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1)O/C(=C(/C(=O)CCCC2=CC=CC=C2)\[N+]#N)/[O-])C(C)(C)C

InChI

InChI=1S/C23H32N2O3/c1-16-13-14-18(23(2,3)4)20(15-16)28-22(27)21(25-24)19(26)12-8-11-17-9-6-5-7-10-17/h5-7,9-10,16,18,20H,8,11-15H2,1-4H3/t16-,18-,20+/m1/s1