8,9-bis(3-chloranyl-2-sulfo-phenyl)pyridazino[1,2-a]cinnoline-6,7-dicarboxylic acid

Systemtic Name: 8,9-bis(3-chloranyl-2-sulfo-phenyl)pyridazino[1,2-a]cinnoline-6,7-dicarboxylic acid Openeye Name: 8,9-bis(3-chloro-2-sulfo-phenyl)pyridazino[1,2-a]cinnoline-6,7-dicarboxylic acid CAS Name: 8,9-bis(3-chloro-2-sulfophenyl)pyridazino[1,2-a]cinnoline-6,7-dicarboxylic acid IUPAC Name: 8,9-bis(3-chloro-2-sulfophenyl)pyridazino[1,2-a]cinnoline-6,7-dicarboxylic acid Traditional Name: 8,9-bis(3-chloro-2-sulfo-phenyl)pyridazino[1,2-a]cinnoline-6,7-dicarboxylic acid Formula: C26H16Cl2N2O10S2 MolecularWeight: 651.44864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C3=C(C(=C(C=C3)C4=C(C(=CC=C4)Cl)S(=O)(=O)O)C5=C(C(=CC=C5)Cl)S(=O)(=O)O)C(=C(N2C=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1=CN2C3=C(C(=C(C=C3)C4=C(C(=CC=C4)Cl)S(=O)(=O)O)C5=C(C(=CC=C5)Cl)S(=O)(=O)O)C(=C(N2C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C26H16Cl2N2O10S2/c27-16-7-3-5-14(23(16)41(35,36)37)13-9-10-18-20(19(13)15-6-4-8-17(28)24(15)42(38,39)40)21(25(31)32)22(26(33)34)30-12-2-1-11-29(18)30/h1-12H,(H,31,32)(H,33,34)(H,35,36,37)(H,38,39,40)