diethyl (1S,2S,4S,5S)-4-chloranyl-5-phenylsulfanyl-cyclohexane-1,2-dicarboxylate

Systemtic Name: diethyl (1S,2S,4S,5S)-4-chloranyl-5-phenylsulfanyl-cyclohexane-1,2-dicarboxylate Openeye Name: diethyl (1S,2S,4S,5S)-4-chloro-5-phenylsulfanyl-cyclohexane-1,2-dicarboxylate CAS Name: (1S,2S,4S,5S)-4-chloro-5-(phenylthio)cyclohexane-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S,4S,5S)-4-chloro-5-phenylsulfanylcyclohexane-1,2-dicarboxylate Traditional Name: (1S,2S,4S,5S)-4-chloro-5-(phenylthio)cyclohexane-1,2-dicarboxylic acid diethyl ester Formula: C18H23ClO4S MolecularWeight: 370.89082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(CC1C(=O)OCC)Cl)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OCC)Cl)SC2=CC=CC=C2

InChI

InChI=1S/C18H23ClO4S/c1-3-22-17(20)13-10-15(19)16(11-14(13)18(21)23-4-2)24-12-8-6-5-7-9-12/h5-9,13-16H,3-4,10-11H2,1-2H3/t13-,14-,15-,16-/m0/s1