2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3-sulfonic acid

Systemtic Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3-sulfonic acid Openeye Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3-sulfonic acid CAS Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3-sulfonic acid IUPAC Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3-sulfonic acid Traditional Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3-sulfonic acid Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC3=C(C(=C(N=C32)C)S(=O)(=O)O)C4=CC=CC=C4)C(=C1)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=CC3=C(C(=C(N=C32)C)S(=O)(=O)O)C4=CC=CC=C4)C(=C1)C5=CC=CC=C5

InChI

InChI=1S/C26H20N2O3S/c1-16-15-22(18-9-5-3-6-10-18)20-13-14-21-23(19-11-7-4-8-12-19)26(32(29,30)31)17(2)28-25(21)24(20)27-16/h3-15H,1-2H3,(H,29,30,31)