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

Systemtic Name: (1S,2S,4S,5S)-4-chloranyl-5-(phenylsulfonyl)cyclohexane-1,2-dicarboxylate Openeye Name: (1S,2S,4S,5S)-4-(benzenesulfonyl)-5-chloro-cyclohexane-1,2-dicarboxylate CAS Name: (1S,2S,4S,5S)-4-(benzenesulfonyl)-5-chlorocyclohexane-1,2-dicarboxylate IUPAC Name: (1S,2S,4S,5S)-4-(benzenesulfonyl)-5-chlorocyclohexane-1,2-dicarboxylate Traditional Name: (1S,2S,4S,5S)-4-besyl-5-chloro-cyclohexane-1,2-dicarboxylate Formula: C14H13ClO6S-2 MolecularWeight: 344.76742

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1S(=O)(=O)C2=CC=CC=C2)Cl)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1[C@@H]([C@H](C[C@@H]([C@H]1S(=O)(=O)C2=CC=CC=C2)Cl)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H15ClO6S/c15-11-6-9(13(16)17)10(14(18)19)7-12(11)22(20,21)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2,(H,16,17)(H,18,19)/p-2/t9-,10-,11-,12-/m0/s1