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

Systemtic Name: 1H-benzimidazole; perylene-3,4,9,10-tetracarboxylic acid Openeye Name: benzimidazole; perylene-3,4,9,10-tetracarboxylic acid CAS Name: 1H-benzimidazole; perylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1H-benzimidazole; perylene-3,4,9,10-tetracarboxylic acid Traditional Name: benzimidazole; perylene-3,4,9,10-tetracarboxylic acid Formula: C38H24N4O8 MolecularWeight: 664.61916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=N2.C1=CC=C2C(=C1)NC=N2.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

Isomeric SMILES

C1=CC=C2C(=C1)NC=N2.C1=CC=C2C(=C1)NC=N2.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

InChI

InChI=1S/C24H12O8.2C7H6N2/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;2*1-2-4-7-6(3-1)8-5-9-7/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32);2*1-5H,(H,8,9)