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

Systemtic Name: 4-(4-methyl-3-sulfo-phenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Openeye Name: 4-(4-methyl-3-sulfo-phenyl)-1,10-phenanthroline-2,9-dicarboxylic acid CAS Name: 4-(4-methyl-3-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid IUPAC Name: 4-(4-methyl-3-sulfophenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Traditional Name: 4-(4-methyl-3-sulfo-phenyl)-1,10-phenanthroline-2,9-dicarboxylic acid Formula: C21H14N2O7S MolecularWeight: 438.41006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4)C(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4)C(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H14N2O7S/c1-10-2-3-12(8-17(10)31(28,29)30)14-9-16(21(26)27)23-19-13(14)6-4-11-5-7-15(20(24)25)22-18(11)19/h2-9H,1H3,(H,24,25)(H,26,27)(H,28,29,30)