2-chloranyl-3-(4-cyclohexyl-3-methylsulfonyl-5-nitro-phenyl)propanoic acid

Systemtic Name: 2-chloranyl-3-(4-cyclohexyl-3-methylsulfonyl-5-nitro-phenyl)propanoic acid Openeye Name: 2-chloro-3-(4-cyclohexyl-3-methylsulfonyl-5-nitro-phenyl)propanoic acid CAS Name: 2-chloro-3-(4-cyclohexyl-3-methylsulfonyl-5-nitrophenyl)propanoic acid IUPAC Name: 2-chloro-3-(4-cyclohexyl-3-methylsulfonyl-5-nitrophenyl)propanoic acid Traditional Name: 2-chloro-3-(4-cyclohexyl-3-mesyl-5-nitro-phenyl)propionic acid Formula: C16H20ClNO6S MolecularWeight: 389.8511

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1C2CCCCC2)[N+](=O)[O-])CC(C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1C2CCCCC2)[N+](=O)[O-])CC(C(=O)O)Cl

InChI

InChI=1S/C16H20ClNO6S/c1-25(23,24)14-9-10(7-12(17)16(19)20)8-13(18(21)22)15(14)11-5-3-2-4-6-11/h8-9,11-12H,2-7H2,1H3,(H,19,20)