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

Systemtic Name: (6-bromanyl-1H-indol-3-yl)-(6-bromanyl-1-methoxycarbonyl-indol-3-yl)-methoxy-methanesulfonic acid Openeye Name: (6-bromo-1H-indol-3-yl)-(6-bromo-1-methoxycarbonyl-indol-3-yl)-methoxy-methanesulfonic acid CAS Name: (6-bromo-1H-indol-3-yl)-(6-bromo-1-methoxycarbonyl-3-indolyl)-methoxymethanesulfonic acid IUPAC Name: (6-bromo-1H-indol-3-yl)-(6-bromo-1-methoxycarbonylindol-3-yl)-methoxymethanesulfonic acid Traditional Name: (6-bromo-1-carbomethoxy-indol-3-yl)-(6-bromo-1H-indol-3-yl)-methoxy-methanesulfonic acid Formula: C20H16Br2N2O6S MolecularWeight: 572.22384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16Br2N2O6S/c1-29-19(25)24-10-16(14-6-4-12(22)8-18(14)24)20(30-2,31(26,27)28)15-9-23-17-7-11(21)3-5-13(15)17/h3-10,23H,1-2H3,(H,26,27,28)