disodium; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; methanesulfonate

Systemtic Name: disodium; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; methanesulfonate Openeye Name: disodium; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; methanesulfonate CAS Name: disodium; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; methanesulfonate IUPAC Name: disodium; 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline; methanesulfonate Traditional Name: disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline dimesylate Formula: C28H26N2Na2O6S2 MolecularWeight: 596.62538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NC2=C(C=CC3=C2N=C(C=C3C4=CC=CC=C4)C)C(=C1)C5=CC=CC=C5.CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C26H20N2.2CH4O3S.2Na/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17;2*1-5(2,3)4;;/h3-16H,1-2H3;2*1H3,(H,2,3,4);;/q;;;2*+1/p-2