2,4-dimethyl-1H-benzimidazole; 8-(4,5,8-tricarboxynaphthalen-1-yl)naphthalene-1,4,5-tricarboxylic acid

Systemtic Name: 2,4-dimethyl-1H-benzimidazole; 8-(4,5,8-tricarboxynaphthalen-1-yl)naphthalene-1,4,5-tricarboxylic acid Openeye Name: 2,4-dimethyl-1H-benzimidazole; 8-(4,5,8-tricarboxy-1-naphthyl)naphthalene-1,4,5-tricarboxylic acid CAS Name: 2,4-dimethyl-1H-benzimidazole; 8-(4,5,8-tricarboxy-1-naphthalenyl)naphthalene-1,4,5-tricarboxylic acid IUPAC Name: 2,4-dimethyl-1H-benzimidazole; 8-(4,5,8-tricarboxynaphthalen-1-yl)naphthalene-1,4,5-tricarboxylic acid Traditional Name: 2,4-dimethyl-1H-benzimidazole; 8-(4,5,8-tricarboxy-1-naphthyl)naphthalene-1,4,5-tricarboxylic acid Formula: C35H24N2O12 MolecularWeight: 664.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=N2)C.C1=CC(=C2C(=CC=C(C2=C1C3=C4C(=CC=C(C4=C(C=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=N2)C.C1=CC(=C2C(=CC=C(C2=C1C3=C4C(=CC=C(C4=C(C=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C26H14O12.C9H10N2/c27-21(28)11-5-7-15(25(35)36)19-13(23(31)32)3-1-9(17(11)19)10-2-4-14(24(33)34)20-16(26(37)38)8-6-12(18(10)20)22(29)30;1-6-4-3-5-8-9(6)11-7(2)10-8/h1-8H,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38);3-5H,1-2H3,(H,10,11)