sodium (4R,5S)-4-ethoxycarbonyl-5-methyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: sodium (4R,5S)-4-ethoxycarbonyl-5-methyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: sodium (4R,5S)-4-ethoxycarbonyl-5-methyl-3-oxo-cyclohexen-1-olate CAS Name: sodium (4R,5S)-4-ethoxycarbonyl-5-methyl-3-oxo-1-cyclohexenolate IUPAC Name: sodium (4R,5S)-4-ethoxycarbonyl-5-methyl-3-oxocyclohexen-1-olate Traditional Name: sodium (4R,5S)-4-carbethoxy-3-keto-5-methyl-cyclohexen-1-olate Formula: C10H13NaO4 MolecularWeight: 220.19759

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)[O-])C.[Na+]

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CC(=CC1=O)[O-])C.[Na+]

InChI

InChI=1S/C10H14O4.Na/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12;/h5-6,9,11H,3-4H2,1-2H3;/q;+1/p-1/t6-,9+;/m0./s1