diethyl (3S,4S)-3-[(E)-4-chloranylbut-1-enyl]-4-oxidanyl-cyclohexane-1,1-dicarboxylate

Systemtic Name: diethyl (3S,4S)-3-[(E)-4-chloranylbut-1-enyl]-4-oxidanyl-cyclohexane-1,1-dicarboxylate Openeye Name: diethyl (3S,4S)-3-[(E)-4-chlorobut-1-enyl]-4-hydroxy-cyclohexane-1,1-dicarboxylate CAS Name: (3S,4S)-3-[(E)-4-chlorobut-1-enyl]-4-hydroxycyclohexane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3S,4S)-3-[(E)-4-chlorobut-1-enyl]-4-hydroxycyclohexane-1,1-dicarboxylate Traditional Name: (3S,4S)-3-[(E)-4-chlorobut-1-enyl]-4-hydroxy-cyclohexane-1,1-dicarboxylic acid diethyl ester Formula: C16H25ClO5 MolecularWeight: 332.8197

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C(C1)C=CCCCl)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC[C@@H]([C@@H](C1)/C=C/CCCl)O)C(=O)OCC

InChI

InChI=1S/C16H25ClO5/c1-3-21-14(19)16(15(20)22-4-2)9-8-13(18)12(11-16)7-5-6-10-17/h5,7,12-13,18H,3-4,6,8-11H2,1-2H3/b7-5+/t12-,13+/m1/s1