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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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