(6-bromanyl-1H-indol-3-yl)-(6-bromanyl-1-methoxycarbonyl-indol-3-yl)-oxidanyl-methanesulfonic acid

Systemtic Name: (6-bromanyl-1H-indol-3-yl)-(6-bromanyl-1-methoxycarbonyl-indol-3-yl)-oxidanyl-methanesulfonic acid Openeye Name: (6-bromo-1H-indol-3-yl)-(6-bromo-1-methoxycarbonyl-indol-3-yl)-hydroxy-methanesulfonic acid CAS Name: (6-bromo-1H-indol-3-yl)-(6-bromo-1-methoxycarbonyl-3-indolyl)-hydroxymethanesulfonic acid IUPAC Name: (6-bromo-1H-indol-3-yl)-(6-bromo-1-methoxycarbonylindol-3-yl)-hydroxymethanesulfonic acid Traditional Name: (6-bromo-1-carbomethoxy-indol-3-yl)-(6-bromo-1H-indol-3-yl)-hydroxy-methanesulfonic acid Formula: C19H14Br2N2O6S MolecularWeight: 558.19726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=C(C2=C1C=C(C=C2)Br)C(C3=CNC4=C3C=CC(=C4)Br)(O)S(=O)(=O)O

Isomeric SMILES

COC(=O)N1C=C(C2=C1C=C(C=C2)Br)C(C3=CNC4=C3C=CC(=C4)Br)(O)S(=O)(=O)O

InChI

InChI=1S/C19H14Br2N2O6S/c1-29-18(24)23-9-15(13-5-3-11(21)7-17(13)23)19(25,30(26,27)28)14-8-22-16-6-10(20)2-4-12(14)16/h2-9,22,25H,1H3,(H,26,27,28)