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

Systemtic Name: ethyl 3-(3-bromanyl-4-cyclohexyl-5-methylsulfonyl-phenyl)-2-chloranyl-propanoate Openeye Name: ethyl 3-(3-bromo-4-cyclohexyl-5-methylsulfonyl-phenyl)-2-chloro-propanoate CAS Name: 3-(3-bromo-4-cyclohexyl-5-methylsulfonylphenyl)-2-chloropropanoic acid ethyl ester IUPAC Name: ethyl 3-(3-bromo-4-cyclohexyl-5-methylsulfonylphenyl)-2-chloropropanoate Traditional Name: 3-(3-bromo-4-cyclohexyl-5-mesyl-phenyl)-2-chloro-propionic acid ethyl ester Formula: C18H24BrClO4S MolecularWeight: 451.80276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrClO4S/c1-3-24-18(21)15(20)10-12-9-14(19)17(13-7-5-4-6-8-13)16(11-12)25(2,22)23/h9,11,13,15H,3-8,10H2,1-2H3