1H-imidazole; perylene-3,4,9,10-tetracarboxylic acid

Systemtic Name: 1H-imidazole; perylene-3,4,9,10-tetracarboxylic acid Openeye Name: imidazole; perylene-3,4,9,10-tetracarboxylic acid CAS Name: 1H-imidazole; perylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1H-imidazole; perylene-3,4,9,10-tetracarboxylic acid Traditional Name: glyoxaline; perylene-3,4,9,10-tetracarboxylic acid Formula: C27H16N2O8 MolecularWeight: 496.42454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=CC=C(C5=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O.C1=CN=CN1

Isomeric SMILES

C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=CC=C(C5=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O.C1=CN=CN1

InChI

InChI=1S/C24H12O8.C3H4N2/c25-21(26)13-5-1-9-10-2-6-15(23(29)30)20-16(24(31)32)8-4-12(18(10)20)11-3-7-14(22(27)28)19(13)17(9)11;1-2-5-3-4-1/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32);1-3H,(H,4,5)