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

Systemtic Name: (Z)-2-diazonio-1-[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-oxidanylidene-undec-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-oxo-undec-1-en-1-olate CAS Name: (Z)-2-diazonio-1-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-oxo-1-undecen-1-olate IUPAC Name: (Z)-2-diazonio-1-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-oxoundec-1-en-1-olate Traditional Name: (Z)-2-diazonio-1-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-3-keto-undec-1-en-1-olate Formula: C21H36N2O3 MolecularWeight: 364.52214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C(=C([O-])OC1CC(CCC1C(C)C)C)[N+]#N

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O3/c1-5-6-7-8-9-10-11-18(24)20(23-22)21(25)26-19-14-16(4)12-13-17(19)15(2)3/h15-17,19H,5-14H2,1-4H3/t16-,17+,19+/m1/s1