methanesulfonate; [3-methyl-1-(triphenyl-$l^{5}-phosphanylidene)azetidin-1-ium-3-yl]methyl methanesulfonate

Systemtic Name: methanesulfonate; [3-methyl-1-(triphenyl-$l^{5}-phosphanylidene)azetidin-1-ium-3-yl]methyl methanesulfonate Openeye Name: methanesulfonate; [3-methyl-1-(triphenyl-$l^{5}-phosphanylidene)azetidin-1-ium-3-yl]methyl methanesulfonate CAS Name: methanesulfonate; methanesulfonic acid (3-methyl-1-triphenylphosphoranylidene-3-azetidin-1-iumyl)methyl ester IUPAC Name: methanesulfonate; [3-methyl-1-(triphenyl-$l^{5}-phosphanylidene)azetidin-1-ium-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid (3-methyl-1-triphenylphosphoranylidene-azetidin-1-ium-3-yl)methyl ester mesylate Formula: C25H30NO6PS2 MolecularWeight: 535.612561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C1)COS(=O)(=O)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC1(C[N+](=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C1)COS(=O)(=O)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C24H27NO3PS.CH4O3S/c1-24(20-28-30(2,26)27)18-25(19-24)29(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-5(2,3)4/h3-17H,18-20H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1