dimethyl (3R,6S)-4-chloranyl-4-cyano-6-oxidanyl-cyclohexene-1,3-dicarboxylate

Systemtic Name: dimethyl (3R,6S)-4-chloranyl-4-cyano-6-oxidanyl-cyclohexene-1,3-dicarboxylate Openeye Name: dimethyl (3R,6S)-4-chloro-4-cyano-6-hydroxy-cyclohexene-1,3-dicarboxylate CAS Name: (3R,6S)-4-chloro-4-cyano-6-hydroxycyclohexene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3R,6S)-4-chloro-4-cyano-6-hydroxycyclohexene-1,3-dicarboxylate Traditional Name: (3R,6S)-4-chloro-4-cyano-6-hydroxy-cyclohexene-1,3-dicarboxylic acid dimethyl ester Formula: C11H12ClNO5 MolecularWeight: 273.66968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=C(C(CC1(C#N)Cl)O)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1C=C([C@H](CC1(C#N)Cl)O)C(=O)OC

InChI

InChI=1S/C11H12ClNO5/c1-17-9(15)6-3-7(10(16)18-2)11(12,5-13)4-8(6)14/h3,7-8,14H,4H2,1-2H3/t7-,8+,11?/m1/s1