methyl 2-bromanyl-4-(4-methylcyclohexyl)-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-bromanyl-4-(4-methylcyclohexyl)-5-methylsulfonyl-benzoate Openeye Name: methyl 2-bromo-4-(4-methylcyclohexyl)-5-methylsulfonyl-benzoate CAS Name: 2-bromo-4-(4-methylcyclohexyl)-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-bromo-4-(4-methylcyclohexyl)-5-methylsulfonylbenzoate Traditional Name: 2-bromo-5-mesyl-4-(4-methylcyclohexyl)benzoic acid methyl ester Formula: C16H21BrO4S MolecularWeight: 389.30454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2=C(C=C(C(=C2)Br)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1CCC(CC1)C2=C(C=C(C(=C2)Br)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C16H21BrO4S/c1-10-4-6-11(7-5-10)12-8-14(17)13(16(18)21-2)9-15(12)22(3,19)20/h8-11H,4-7H2,1-3H3