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

Systemtic Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5-sulfonic acid Openeye Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5-sulfonic acid CAS Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5-sulfonic acid IUPAC Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5-sulfonic acid Traditional Name: 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-5-sulfonic acid Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C3C(=C(C=C2C(=C1)C4=CC=CC=C4)S(=O)(=O)O)C(=CC(=N3)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C3C(=C(C=C2C(=C1)C4=CC=CC=C4)S(=O)(=O)O)C(=CC(=N3)C)C5=CC=CC=C5

InChI

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