2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5,6-disulfonic acid

Systemtic Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5,6-disulfonic acid Openeye Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5,6-disulfonic acid CAS Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5,6-disulfonic acid IUPAC Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5,6-disulfonic acid Traditional Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5,6-disulfonic acid Formula: C26H20N2O6S2 MolecularWeight: 520.5768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)C3=CC=CC=C3)C(=C(C4=C2N=C(C=C4C5=CC=CC=C5)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(C(=C1)C3=CC=CC=C3)C(=C(C4=C2N=C(C=C4C5=CC=CC=C5)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H20N2O6S2/c1-15-13-19(17-9-5-3-6-10-17)21-23(27-15)24-22(26(36(32,33)34)25(21)35(29,30)31)20(14-16(2)28-24)18-11-7-4-8-12-18/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34)