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

Systemtic Name: (4R,5R,6S)-4,6-bis(ethoxycarbonyl)-5-(4-methoxyphenyl)-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (4R,5R,6S)-4,6-bis(ethoxycarbonyl)-5-(4-methoxyphenyl)-3-oxo-cyclohexen-1-olate CAS Name: (4R,5R,6S)-4,6-bis(ethoxycarbonyl)-5-(4-methoxyphenyl)-3-oxo-1-cyclohexenolate IUPAC Name: (4R,5R,6S)-4,6-bis(ethoxycarbonyl)-5-(4-methoxyphenyl)-3-oxocyclohexen-1-olate Traditional Name: (4R,5R,6S)-4,6-dicarbethoxy-3-keto-5-(4-methoxyphenyl)cyclohexen-1-olate Formula: C19H21O7- MolecularWeight: 361.36584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O7/c1-4-25-18(22)16-13(20)10-14(21)17(19(23)26-5-2)15(16)11-6-8-12(24-3)9-7-11/h6-10,15-17,20H,4-5H2,1-3H3/p-1/t15-,16-,17+/m1/s1