[5,6'-bis(bromanyl)-1',1',3,3-tetramethyl-6-sulfooxy-1,3'-spirobi[2H-indene]-5'-yl] hydrogen sulfate

Systemtic Name: [5,6'-bis(bromanyl)-1',1',3,3-tetramethyl-6-sulfooxy-1,3'-spirobi[2H-indene]-5'-yl] hydrogen sulfate Openeye Name: (5,6'-dibromo-1',1',3,3-tetramethyl-6-sulfooxy-1,3'-spirobi[indane]-5'-yl) hydrogen sulfate CAS Name: sulfuric acid (5,6'-dibromo-1',1',3,3-tetramethyl-6-sulfooxy-1,3'-spirobi[2H-indene]-5'-yl) ester IUPAC Name: (5,6'-dibromo-1',1',3,3-tetramethyl-6-sulfooxy-1,3'-spirobi[2H-indene]-5'-yl) hydrogen sulfate Traditional Name: sulfuric acid (5,6'-dibromo-1',1',3,3-tetramethyl-6-sulfoxy-1,3'-spirobi[indane]-5'-yl) ester Formula: C21H22Br2O8S2 MolecularWeight: 626.33258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2(CC(C3=CC(=C(C=C32)OS(=O)(=O)O)Br)(C)C)C4=CC(=C(C=C41)Br)OS(=O)(=O)O)C

Isomeric SMILES

CC1(CC2(CC(C3=CC(=C(C=C32)OS(=O)(=O)O)Br)(C)C)C4=CC(=C(C=C41)Br)OS(=O)(=O)O)C

InChI

InChI=1S/C21H22Br2O8S2/c1-19(2)9-21(13-7-17(30-32(24,25)26)15(22)5-11(13)19)10-20(3,4)12-6-16(23)18(8-14(12)21)31-33(27,28)29/h5-8H,9-10H2,1-4H3,(H,24,25,26)(H,27,28,29)