5,5-dimethyl-3-oxidanylidene-2-(3-oxidanylpropyliminomethyl)cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-3-oxidanylidene-2-(3-oxidanylpropyliminomethyl)cyclohexen-1-olate Openeye Name: 2-(3-hydroxypropyliminomethyl)-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-(3-hydroxypropyliminomethyl)-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-(3-hydroxypropyliminomethyl)-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-(3-hydroxypropyliminomethyl)-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C12H18NO3- MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C=NCCCO)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C=NCCCO)[O-])C

InChI

InChI=1S/C12H19NO3/c1-12(2)6-10(15)9(11(16)7-12)8-13-4-3-5-14/h8,14-15H,3-7H2,1-2H3/p-1