(6S)-2-butanoyl-5,5-dimethyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (6S)-2-butanoyl-5,5-dimethyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (6S)-2-butanoyl-5,5-dimethyl-6-(3-methylisoxazol-5-yl)-3-oxo-cyclohexen-1-olate CAS Name: (6S)-5,5-dimethyl-6-(3-methyl-5-isoxazolyl)-3-oxo-2-(1-oxobutyl)-1-cyclohexenolate IUPAC Name: (6S)-2-butanoyl-5,5-dimethyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxocyclohexen-1-olate Traditional Name: (6S)-2-butyryl-3-keto-5,5-dimethyl-6-(3-methylisoxazol-5-yl)cyclohexen-1-olate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C(CC1=O)(C)C)C2=CC(=NO2)C)[O-]

Isomeric SMILES

CCCC(=O)C1=C([C@H](C(CC1=O)(C)C)C2=CC(=NO2)C)[O-]

InChI

InChI=1S/C16H21NO4/c1-5-6-10(18)13-11(19)8-16(3,4)14(15(13)20)12-7-9(2)17-21-12/h7,14,20H,5-6,8H2,1-4H3/p-1/t14-/m1/s1