(2S)-2-(4,4-dimethyl-2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)butanedioate

Systemtic Name: (2S)-2-(4,4-dimethyl-2-oxidanidyl-6-oxidanylidene-cyclohexen-1-yl)butanedioate Openeye Name: (2S)-2-(4,4-dimethyl-2-oxido-6-oxo-cyclohexen-1-yl)butanedioate CAS Name: (2S)-2-(4,4-dimethyl-2-oxido-6-oxo-1-cyclohexenyl)butanedioate IUPAC Name: (2S)-2-(4,4-dimethyl-2-oxido-6-oxocyclohexen-1-yl)butanedioate Traditional Name: (2S)-2-(6-keto-4,4-dimethyl-2-oxido-cyclohexen-1-yl)succinate Formula: C12H13O6-3 MolecularWeight: 253.22802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O6/c1-12(2)4-7(13)10(8(14)5-12)6(11(17)18)3-9(15)16/h6,13H,3-5H2,1-2H3,(H,15,16)(H,17,18)/p-3/t6-/m0/s1