disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate

Systemtic Name: disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate Openeye Name: disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate CAS Name: disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate IUPAC Name: disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate Traditional Name: disodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate Formula: C26H18N2Na2O6S2 MolecularWeight: 564.54046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC3=C(C(=C(N=C3C2=N1)C)S(=O)(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=C2C=CC3=C(C(=C(N=C3C2=N1)C)S(=O)(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C26H20N2O6S2.2Na/c1-15-25(35(29,30)31)21(17-9-5-3-6-10-17)19-13-14-20-22(18-11-7-4-8-12-18)26(36(32,33)34)16(2)28-24(20)23(19)27-15;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2