2-(4,4-dimethylcyclohexyl)ethyl 4-bromanylbenzenesulfonate

Systemtic Name: 2-(4,4-dimethylcyclohexyl)ethyl 4-bromanylbenzenesulfonate Openeye Name: 2-(4,4-dimethylcyclohexyl)ethyl 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid 2-(4,4-dimethylcyclohexyl)ethyl ester IUPAC Name: 2-(4,4-dimethylcyclohexyl)ethyl 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid 2-(4,4-dimethylcyclohexyl)ethyl ester Formula: C16H23BrO3S MolecularWeight: 375.32102

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)CCOS(=O)(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1(CCC(CC1)CCOS(=O)(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C16H23BrO3S/c1-16(2)10-7-13(8-11-16)9-12-20-21(18,19)15-5-3-14(17)4-6-15/h3-6,13H,7-12H2,1-2H3