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

Systemtic Name: 2-chloranyl-1H-benzimidazole; 8-(4,5,8-tricarboxynaphthalen-1-yl)naphthalene-1,4,5-tricarboxylic acid Openeye Name: 2-chloro-1H-benzimidazole; 8-(4,5,8-tricarboxy-1-naphthyl)naphthalene-1,4,5-tricarboxylic acid CAS Name: 2-chloro-1H-benzimidazole; 8-(4,5,8-tricarboxy-1-naphthalenyl)naphthalene-1,4,5-tricarboxylic acid IUPAC Name: 2-chloro-1H-benzimidazole; 8-(4,5,8-tricarboxynaphthalen-1-yl)naphthalene-1,4,5-tricarboxylic acid Traditional Name: 2-chloro-1H-benzimidazole; 8-(4,5,8-tricarboxy-1-naphthyl)naphthalene-1,4,5-tricarboxylic acid Formula: C33H19ClN2O12 MolecularWeight: 670.96316

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Descriptors Computed from Structure

Canonical SMILES:

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

C1=CC=C2C(=C1)NC(=N2)Cl.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.C7H5ClN2/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;8-7-9-5-3-1-2-4-6(5)10-7/h1-8H,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38);1-4H,(H,9,10)