3-[2,4-bis(bromanyl)phenyl]-4-methyl-hexane-1-sulfonate

Systemtic Name: 3-[2,4-bis(bromanyl)phenyl]-4-methyl-hexane-1-sulfonate Openeye Name: 3-(2,4-dibromophenyl)-4-methyl-hexane-1-sulfonate CAS Name: 3-(2,4-dibromophenyl)-4-methyl-1-hexanesulfonate IUPAC Name: 3-(2,4-dibromophenyl)-4-methylhexane-1-sulfonate Traditional Name: 3-(2,4-dibromophenyl)-4-methyl-hexane-1-sulfonate Formula: C13H17Br2O3S- MolecularWeight: 413.14528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCS(=O)(=O)[O-])C1=C(C=C(C=C1)Br)Br

Isomeric SMILES

CCC(C)C(CCS(=O)(=O)[O-])C1=C(C=C(C=C1)Br)Br

InChI

InChI=1S/C13H18Br2O3S/c1-3-9(2)11(6-7-19(16,17)18)12-5-4-10(14)8-13(12)15/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,16,17,18)/p-1