4,7-bis(2-chloranyl-3-sulfo-phenyl)-1,10-phenanthroline-2,9-dicarboxylic acid

Systemtic Name: 4,7-bis(2-chloranyl-3-sulfo-phenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Openeye Name: 4,7-bis(2-chloro-3-sulfo-phenyl)-1,10-phenanthroline-2,9-dicarboxylic acid CAS Name: 4,7-bis(2-chloro-3-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid IUPAC Name: 4,7-bis(2-chloro-3-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Traditional Name: 4,7-bis(2-chloro-3-sulfo-phenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Formula: C26H14Cl2N2O10S2 MolecularWeight: 649.43276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)O)Cl)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=C(C(=CC=C5)S(=O)(=O)O)Cl)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)O)Cl)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=C(C(=CC=C5)S(=O)(=O)O)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C26H14Cl2N2O10S2/c27-21-11(3-1-5-19(21)41(35,36)37)15-9-17(25(31)32)29-23-13(15)7-8-14-16(10-18(26(33)34)30-24(14)23)12-4-2-6-20(22(12)28)42(38,39)40/h1-10H,(H,31,32)(H,33,34)(H,35,36,37)(H,38,39,40)