2-[[2,3-bis(oxidanyl)propylamino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[2,3-bis(oxidanyl)propylamino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(2,3-dihydroxypropylamino)methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(2,3-dihydroxypropylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(2,3-dihydroxypropylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(glycerylamino)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C12H19NO4 MolecularWeight: 241.28356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4/c1-12(2)3-10(16)9(11(17)4-12)6-13-5-8(15)7-14/h6,8,13-15H,3-5,7H2,1-2H3