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

Systemtic Name: 2,9-dimethyl-4,7-diphenyl-1H-1,10-phenanthroline-2-sulfonic acid Openeye Name: 2,9-dimethyl-4,7-diphenyl-1H-1,10-phenanthroline-2-sulfonic acid CAS Name: 2,9-dimethyl-4,7-diphenyl-1H-1,10-phenanthroline-2-sulfonic acid IUPAC Name: 2,9-dimethyl-4,7-diphenyl-1H-1,10-phenanthroline-2-sulfonic acid Traditional Name: 2,9-dimethyl-4,7-diphenyl-1H-1,10-phenanthroline-2-sulfonic acid Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC3=C2NC(C=C3C4=CC=CC=C4)(C)S(=O)(=O)O)C(=C1)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=CC3=C2NC(C=C3C4=CC=CC=C4)(C)S(=O)(=O)O)C(=C1)C5=CC=CC=C5

InChI

InChI=1S/C26H22N2O3S/c1-17-15-22(18-9-5-3-6-10-18)20-13-14-21-23(19-11-7-4-8-12-19)16-26(2,32(29,30)31)28-25(21)24(20)27-17/h3-16,28H,1-2H3,(H,29,30,31)