4,10-bis(bromanyl)-9-(2-methylpropoxycarbonyl)perylene-3-carboxylate

Systemtic Name: 4,10-bis(bromanyl)-9-(2-methylpropoxycarbonyl)perylene-3-carboxylate Openeye Name: 4,10-dibromo-9-isobutoxycarbonyl-perylene-3-carboxylate CAS Name: 4,10-dibromo-9-[2-methylpropoxy(oxo)methyl]-3-perylenecarboxylate IUPAC Name: 4,10-dibromo-9-(2-methylpropoxycarbonyl)perylene-3-carboxylate Traditional Name: 4,10-dibromo-9-isobutoxycarbonyl-perylene-3-carboxylate Formula: C26H17Br2O4- MolecularWeight: 553.21878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C2C(=CC=C3C2=C(C=C1)C4=CC=C(C5=C(C=CC3=C45)C(=O)[O-])Br)Br

Isomeric SMILES

CC(C)COC(=O)C1=C2C(=CC=C3C2=C(C=C1)C4=CC=C(C5=C(C=CC3=C45)C(=O)[O-])Br)Br

InChI

InChI=1S/C26H18Br2O4/c1-12(2)11-32-26(31)18-6-4-14-15-7-9-19(27)23-17(25(29)30)5-3-13(21(15)23)16-8-10-20(28)24(18)22(14)16/h3-10,12H,11H2,1-2H3,(H,29,30)/p-1