2-ethylhexyl 4-bromanylbenzenesulfonate

Systemtic Name: 2-ethylhexyl 4-bromanylbenzenesulfonate Openeye Name: 2-ethylhexyl 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid 2-ethylhexyl ester Formula: C14H21BrO3S MolecularWeight: 349.28374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCC(CC)COS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C14H21BrO3S/c1-3-5-6-12(4-2)11-18-19(16,17)14-9-7-13(15)8-10-14/h7-10,12H,3-6,11H2,1-2H3