4,7-bis(2-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid

Systemtic Name: 4,7-bis(2-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Openeye Name: 4,7-bis(2-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid CAS Name: 4,7-bis(2-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid IUPAC Name: 4,7-bis(2-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Traditional Name: 4,7-bis(2-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Formula: C26H16N2O10S2 MolecularWeight: 580.54264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=CC=C5S(=O)(=O)O)C(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=CC=C5S(=O)(=O)O)C(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H16N2O10S2/c29-25(30)19-11-17(13-5-1-3-7-21(13)39(33,34)35)15-9-10-16-18(14-6-2-4-8-22(14)40(36,37)38)12-20(26(31)32)28-24(16)23(15)27-19/h1-12H,(H,29,30)(H,31,32)(H,33,34,35)(H,36,37,38)