dimethyl (3S,4S,6S)-4-(2-chloroethyloxy)-6-oxidanyl-cyclohexene-1,3-dicarboxylate

Systemtic Name: dimethyl (3S,4S,6S)-4-(2-chloroethyloxy)-6-oxidanyl-cyclohexene-1,3-dicarboxylate Openeye Name: dimethyl (3S,4S,6S)-4-(2-chloroethoxy)-6-hydroxy-cyclohexene-1,3-dicarboxylate CAS Name: (3S,4S,6S)-4-(2-chloroethoxy)-6-hydroxycyclohexene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3S,4S,6S)-4-(2-chloroethoxy)-6-hydroxycyclohexene-1,3-dicarboxylate Traditional Name: (3S,4S,6S)-4-(2-chloroethoxy)-6-hydroxy-cyclohexene-1,3-dicarboxylic acid dimethyl ester Formula: C12H17ClO6 MolecularWeight: 292.71278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=C(C(CC1OCCCl)O)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1C=C([C@H](C[C@@H]1OCCCl)O)C(=O)OC

InChI

InChI=1S/C12H17ClO6/c1-17-11(15)7-5-8(12(16)18-2)10(6-9(7)14)19-4-3-13/h5,8-10,14H,3-4,6H2,1-2H3/t8-,9-,10-/m0/s1