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

Systemtic Name: (1S,2S,4S,5S)-4-chloranyl-5-(4-nitrophenyl)sulfanyl-cyclohexane-1,2-dicarboxylate Openeye Name: (1S,2S,4S,5S)-4-chloro-5-(4-nitrophenyl)sulfanyl-cyclohexane-1,2-dicarboxylate CAS Name: (1S,2S,4S,5S)-4-chloro-5-[(4-nitrophenyl)thio]cyclohexane-1,2-dicarboxylate IUPAC Name: (1S,2S,4S,5S)-4-chloro-5-(4-nitrophenyl)sulfanylcyclohexane-1,2-dicarboxylate Traditional Name: (1S,2S,4S,5S)-4-chloro-5-[(4-nitrophenyl)thio]cyclohexane-1,2-dicarboxylate Formula: C14H12ClNO6S-2 MolecularWeight: 357.76618

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1SC2=CC=C(C=C2)[N+](=O)[O-])Cl)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1[C@@H]([C@H](C[C@@H]([C@H]1SC2=CC=C(C=C2)[N+](=O)[O-])Cl)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H14ClNO6S/c15-11-5-9(13(17)18)10(14(19)20)6-12(11)23-8-3-1-7(2-4-8)16(21)22/h1-4,9-12H,5-6H2,(H,17,18)(H,19,20)/p-2/t9-,10-,11-,12-/m0/s1