5,5-dimethyl-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione hydrate

Systemtic Name: 5,5-dimethyl-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione hydrate Openeye Name: 2-[1-(allyloxyamino)butylidene]-5,5-dimethyl-cyclohexane-1,3-dione hydrate CAS Name: 5,5-dimethyl-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione hydrate IUPAC Name: 5,5-dimethyl-2-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1,3-dione hydrate Traditional Name: 2-[1-(allyloxyamino)butylidene]-5,5-dimethyl-cyclohexane-1,3-quinone hydrate Formula: C15H25NO4 MolecularWeight: 283.3633

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)(C)C)NOCC=C.O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)(C)C)NOCC=C.O

InChI

InChI=1S/C15H23NO3.H2O/c1-5-7-11(16-19-8-6-2)14-12(17)9-15(3,4)10-13(14)18;/h6,16H,2,5,7-10H2,1,3-4H3;1H2