ethyl 2-chloranyl-3-(4-cyclohexyl-3-iodanyl-5-methylsulfonyl-phenyl)propanoate

Systemtic Name: ethyl 2-chloranyl-3-(4-cyclohexyl-3-iodanyl-5-methylsulfonyl-phenyl)propanoate Openeye Name: ethyl 2-chloro-3-(4-cyclohexyl-3-iodo-5-methylsulfonyl-phenyl)propanoate CAS Name: 2-chloro-3-(4-cyclohexyl-3-iodo-5-methylsulfonylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-chloro-3-(4-cyclohexyl-3-iodo-5-methylsulfonylphenyl)propanoate Traditional Name: 2-chloro-3-(4-cyclohexyl-3-iodo-5-mesyl-phenyl)propionic acid ethyl ester Formula: C18H24ClIO4S MolecularWeight: 498.80323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)I)C2CCCCC2)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=C1)I)C2CCCCC2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H24ClIO4S/c1-3-24-18(21)14(19)9-12-10-15(20)17(13-7-5-4-6-8-13)16(11-12)25(2,22)23/h10-11,13-14H,3-9H2,1-2H3