sodium 2,9-dimethyl-4,7-diphenyl-1H-1,10-phenanthroline-2-sulfonate

Systemtic Name: sodium 2,9-dimethyl-4,7-diphenyl-1H-1,10-phenanthroline-2-sulfonate Openeye Name: sodium 2,9-dimethyl-4,7-diphenyl-1H-1,10-phenanthroline-2-sulfonate CAS Name: sodium 2,9-dimethyl-4,7-diphenyl-1H-1,10-phenanthroline-2-sulfonate IUPAC Name: sodium 2,9-dimethyl-4,7-diphenyl-1H-1,10-phenanthroline-2-sulfonate Traditional Name: sodium 2,9-dimethyl-4,7-diphenyl-1H-1,10-phenanthroline-2-sulfonate Formula: C26H21N2NaO3S MolecularWeight: 464.51131

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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.[Na+]

Isomeric SMILES

CC1=NC2=C(C=CC3=C2NC(C=C3C4=CC=CC=C4)(C)S(=O)(=O)[O-])C(=C1)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C26H22N2O3S.Na/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);/q;+1/p-1