3,4-bis(bromanyl)benzenesulfonate; indium(3+)

Systemtic Name: 3,4-bis(bromanyl)benzenesulfonate; indium(3+) Openeye Name: 3,4-dibromobenzenesulfonate; indium(3+) CAS Name: 3,4-dibromobenzenesulfonate; indium(3+) IUPAC Name: 3,4-dibromobenzenesulfonate; indium(3+) Traditional Name: 3,4-dibromobesylate; indium(3+) Formula: C18H9Br6InO9S3 MolecularWeight: 1059.69566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])Br)Br.C1=CC(=C(C=C1S(=O)(=O)[O-])Br)Br.C1=CC(=C(C=C1S(=O)(=O)[O-])Br)Br.[In+3]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])Br)Br.C1=CC(=C(C=C1S(=O)(=O)[O-])Br)Br.C1=CC(=C(C=C1S(=O)(=O)[O-])Br)Br.[In+3]

InChI

InChI=1S/3C6H4Br2O3S.In/c3*7-5-2-1-4(3-6(5)8)12(9,10)11;/h3*1-3H,(H,9,10,11);/q;;;+3/p-3