2-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]iminomethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]iminomethyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]iminomethyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[(2-hydroxy-1,1-dimethylol-ethyl)iminomethyl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C13H20NO5- MolecularWeight: 270.3016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C=NC(CO)(CO)CO)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C=NC(CO)(CO)CO)[O-])C

InChI

InChI=1S/C13H21NO5/c1-12(2)3-10(18)9(11(19)4-12)5-14-13(6-15,7-16)8-17/h5,15-18H,3-4,6-8H2,1-2H3/p-1