2-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]iminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]iminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]iminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(2-hydroxy-1,1-dimethylol-ethyl)iminomethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C13H21NO5 MolecularWeight: 271.30954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C=NC(CO)(CO)CO)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C=NC(CO)(CO)CO)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/h5,9,15-17H,3-4,6-8H2,1-2H3