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

Systemtic Name: 3-[2,4-bis(bromanyl)phenyl]-4-methyl-pentane-1-sulfonic acid Openeye Name: 3-(2,4-dibromophenyl)-4-methyl-pentane-1-sulfonic acid CAS Name: 3-(2,4-dibromophenyl)-4-methyl-1-pentanesulfonic acid IUPAC Name: 3-(2,4-dibromophenyl)-4-methylpentane-1-sulfonic acid Traditional Name: 3-(2,4-dibromophenyl)-4-methyl-pentane-1-sulfonic acid Formula: C12H16Br2O3S MolecularWeight: 400.12664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16Br2O3S/c1-8(2)10(5-6-18(15,16)17)11-4-3-9(13)7-12(11)14/h3-4,7-8,10H,5-6H2,1-2H3,(H,15,16,17)