2-bromanylbenzenesulfonate; indium(3+)

Systemtic Name: 2-bromanylbenzenesulfonate; indium(3+) Openeye Name: 2-bromobenzenesulfonate; indium(3+) CAS Name: 2-bromobenzenesulfonate; indium(3+) IUPAC Name: 2-bromobenzenesulfonate; indium(3+) Traditional Name: 2-bromobesylate; indium(3+) Formula: C18H12Br3InO9S3 MolecularWeight: 823.00748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H5BrO3S.In/c3*7-5-3-1-2-4-6(5)11(8,9)10;/h3*1-4H,(H,8,9,10);/q;;;+3/p-3