(4R,5S,6S)-4,6-bis(ethoxycarbonyl)-5-(furan-2-yl)-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (4R,5S,6S)-4,6-bis(ethoxycarbonyl)-5-(furan-2-yl)-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (4R,5S,6S)-4,6-bis(ethoxycarbonyl)-5-(2-furyl)-3-oxo-cyclohexen-1-olate CAS Name: (4R,5S,6S)-4,6-bis(ethoxycarbonyl)-5-(2-furanyl)-3-oxo-1-cyclohexenolate IUPAC Name: (4R,5S,6S)-4,6-bis(ethoxycarbonyl)-5-(furan-2-yl)-3-oxocyclohexen-1-olate Traditional Name: (4R,5S,6S)-4,6-dicarbethoxy-5-(2-furyl)-3-keto-cyclohexen-1-olate Formula: C16H17O7- MolecularWeight: 321.30198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(=O)C=C1[O-])C(=O)OCC)C2=CC=CO2

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]([C@H](C(=O)C=C1[O-])C(=O)OCC)C2=CC=CO2

InChI

InChI=1S/C16H18O7/c1-3-21-15(19)12-9(17)8-10(18)13(16(20)22-4-2)14(12)11-6-5-7-23-11/h5-8,12-14,17H,3-4H2,1-2H3/p-1/t12-,13+,14+/m1/s1