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

Systemtic Name: (6-bromanyl-1H-indol-3-yl)-(6-bromanyl-1-methoxycarbonyl-indol-3-yl)-ethoxy-methanesulfonic acid Openeye Name: (6-bromo-1H-indol-3-yl)-(6-bromo-1-methoxycarbonyl-indol-3-yl)-ethoxy-methanesulfonic acid CAS Name: (6-bromo-1H-indol-3-yl)-(6-bromo-1-methoxycarbonyl-3-indolyl)-ethoxymethanesulfonic acid IUPAC Name: (6-bromo-1H-indol-3-yl)-(6-bromo-1-methoxycarbonylindol-3-yl)-ethoxymethanesulfonic acid Traditional Name: (6-bromo-1-carbomethoxy-indol-3-yl)-(6-bromo-1H-indol-3-yl)-ethoxy-methanesulfonic acid Formula: C21H18Br2N2O6S MolecularWeight: 586.25042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CNC2=C1C=CC(=C2)Br)(C3=CN(C4=C3C=CC(=C4)Br)C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CCOC(C1=CNC2=C1C=CC(=C2)Br)(C3=CN(C4=C3C=CC(=C4)Br)C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C21H18Br2N2O6S/c1-3-31-21(32(27,28)29,16-10-24-18-8-12(22)4-6-14(16)18)17-11-25(20(26)30-2)19-9-13(23)5-7-15(17)19/h4-11,24H,3H2,1-2H3,(H,27,28,29)