(Z)-3-[(1S,2R)-5,5-bis(methoxycarbonyl)-2-oxidanyl-cyclohexyl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-3-[(1S,2R)-5,5-bis(methoxycarbonyl)-2-oxidanyl-cyclohexyl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-ethoxy-3-[(1S,2R)-2-hydroxy-5,5-bis(methoxycarbonyl)cyclohexyl]-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-1-ethoxy-3-[(1S,2R)-2-hydroxy-5,5-bis(methoxycarbonyl)cyclohexyl]-3-oxo-1-propen-1-olate IUPAC Name: (Z)-2-diazonio-1-ethoxy-3-[(1S,2R)-2-hydroxy-5,5-bis(methoxycarbonyl)cyclohexyl]-3-oxoprop-1-en-1-olate Traditional Name: (Z)-2-diazonio-3-[(1S,2R)-5,5-dicarbomethoxy-2-hydroxy-cyclohexyl]-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C15H20N2O8 MolecularWeight: 356.3279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1CC(CCC1O)(C(=O)OC)C(=O)OC)[N+]#N)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O8/c1-4-25-12(20)10(17-16)11(19)8-7-15(13(21)23-2,14(22)24-3)6-5-9(8)18/h8-9,18H,4-7H2,1-3H3/t8-,9+/m0/s1