1H-benzimidazole; perylene-1,2,3,4-tetracarboxylic acid

Systemtic Name: 1H-benzimidazole; perylene-1,2,3,4-tetracarboxylic acid Openeye Name: benzimidazole; perylene-1,2,3,4-tetracarboxylic acid CAS Name: 1H-benzimidazole; perylene-1,2,3,4-tetracarboxylic acid IUPAC Name: 1H-benzimidazole; perylene-1,2,3,4-tetracarboxylic acid Traditional Name: benzimidazole; perylene-1,2,3,4-tetracarboxylic acid Formula: C31H18N2O8 MolecularWeight: 546.48322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=N2.C1=CC2=C3C(=C1)C4=C5C(=C(C=C4)C(=O)O)C(=C(C(=C5C3=CC=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC=N2.C1=CC2=C3C(=C1)C4=C5C(=C(C=C4)C(=O)O)C(=C(C(=C5C3=CC=C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C24H12O8.C7H6N2/c25-21(26)13-8-7-11-10-5-1-3-9-4-2-6-12(14(9)10)16-15(11)17(13)19(23(29)30)20(24(31)32)18(16)22(27)28;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);1-5H,(H,8,9)