disodium [6-[[2,2-dimethyl-4-(sulfonatomethyl)-1H-quinolin-6-yl]methyl]-2,2-dimethyl-1H-quinolin-4-yl]methanesulfonate

Systemtic Name: disodium [6-[[2,2-dimethyl-4-(sulfonatomethyl)-1H-quinolin-6-yl]methyl]-2,2-dimethyl-1H-quinolin-4-yl]methanesulfonate Openeye Name: disodium [6-[[2,2-dimethyl-4-(sulfonatomethyl)-1H-quinolin-6-yl]methyl]-2,2-dimethyl-1H-quinolin-4-yl]methanesulfonate CAS Name: disodium [6-[[2,2-dimethyl-4-(sulfonatomethyl)-1H-quinolin-6-yl]methyl]-2,2-dimethyl-1H-quinolin-4-yl]methanesulfonate IUPAC Name: disodium [6-[[2,2-dimethyl-4-(sulfonatomethyl)-1H-quinolin-6-yl]methyl]-2,2-dimethyl-1H-quinolin-4-yl]methanesulfonate Traditional Name: disodium [6-[[2,2-dimethyl-4-(sulfonatomethyl)-1H-quinolin-6-yl]methyl]-2,2-dimethyl-1H-quinolin-4-yl]methanesulfonate Formula: C25H28N2Na2O6S2 MolecularWeight: 562.60916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(C=C4CS(=O)(=O)[O-])(C)C)CS(=O)(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(C=C4CS(=O)(=O)[O-])(C)C)CS(=O)(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/C25H30N2O6S2.2Na/c1-24(2)12-18(14-34(28,29)30)20-10-16(5-7-22(20)26-24)9-17-6-8-23-21(11-17)19(15-35(31,32)33)13-25(3,4)27-23;;/h5-8,10-13,26-27H,9,14-15H2,1-4H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2