3-[2,4-bis(bromanyl)phenyl]-5-methyl-hexane-1-sulfonic acid

Systemtic Name: 3-[2,4-bis(bromanyl)phenyl]-5-methyl-hexane-1-sulfonic acid Openeye Name: 3-(2,4-dibromophenyl)-5-methyl-hexane-1-sulfonic acid CAS Name: 3-(2,4-dibromophenyl)-5-methyl-1-hexanesulfonic acid IUPAC Name: 3-(2,4-dibromophenyl)-5-methylhexane-1-sulfonic acid Traditional Name: 3-(2,4-dibromophenyl)-5-methyl-hexane-1-sulfonic acid Formula: C13H18Br2O3S MolecularWeight: 414.15322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCS(=O)(=O)O)C1=C(C=C(C=C1)Br)Br

Isomeric SMILES

CC(C)CC(CCS(=O)(=O)O)C1=C(C=C(C=C1)Br)Br

InChI

InChI=1S/C13H18Br2O3S/c1-9(2)7-10(5-6-19(16,17)18)12-4-3-11(14)8-13(12)15/h3-4,8-10H,5-7H2,1-2H3,(H,16,17,18)