(1-oxidanyl-2-prop-1-en-2-yl-cyclohexyl)methyl 4-bromanylbenzenesulfonate

Systemtic Name: (1-oxidanyl-2-prop-1-en-2-yl-cyclohexyl)methyl 4-bromanylbenzenesulfonate Openeye Name: (1-hydroxy-2-isopropenyl-cyclohexyl)methyl 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [1-hydroxy-2-(1-methylethenyl)cyclohexyl]methyl ester IUPAC Name: (1-hydroxy-2-prop-1-en-2-ylcyclohexyl)methyl 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (1-hydroxy-2-isopropenyl-cyclohexyl)methyl ester Formula: C16H21BrO4S MolecularWeight: 389.30454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCCCC1(COS(=O)(=O)C2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(=C)C1CCCCC1(COS(=O)(=O)C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C16H21BrO4S/c1-12(2)15-5-3-4-10-16(15,18)11-21-22(19,20)14-8-6-13(17)7-9-14/h6-9,15,18H,1,3-5,10-11H2,2H3