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

Systemtic Name: 3,4-bis(3-chloranyl-2-sulfo-phenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Openeye Name: 3,4-bis(3-chloro-2-sulfo-phenyl)-1,10-phenanthroline-2,9-dicarboxylic acid CAS Name: 3,4-bis(3-chloro-2-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid IUPAC Name: 3,4-bis(3-chloro-2-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Traditional Name: 3,4-bis(3-chloro-2-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)Cl)S(=O)(=O)O)C2=C3C=CC4=C(C3=NC(=C2C5=C(C(=CC=C5)Cl)S(=O)(=O)O)C(=O)O)N=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)S(=O)(=O)O)C2=C3C=CC4=C(C3=NC(=C2C5=C(C(=CC=C5)Cl)S(=O)(=O)O)C(=O)O)N=C(C=C4)C(=O)O

InChI

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