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

Systemtic Name: 4,7-bis(4-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Openeye Name: 4,7-bis(4-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid CAS Name: 4,7-bis(4-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid IUPAC Name: 4,7-bis(4-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Traditional Name: 4,7-bis(4-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(=CC=C1C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=C(C=C5)S(=O)(=O)O)C(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=C(C=C5)S(=O)(=O)O)C(=O)O)C(=O)O)S(=O)(=O)O

InChI

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