potassium 1-[bis(1-propanoyloxypropoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate

Systemtic Name: potassium 1-[bis(1-propanoyloxypropoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate Openeye Name: potassium 1-[bis(1-propanoyloxypropoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate CAS Name: potassium 1-[bis[1-(1-oxopropoxy)propoxy]phosphoryl]-4-(3-phenoxyphenyl)-1-butanesulfonate IUPAC Name: potassium 1-[bis(1-propanoyloxypropoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate Traditional Name: potassium 1-[bis(1-propionyloxypropoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate Formula: C28H38KO11PS MolecularWeight: 652.731781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(OC(=O)CC)OP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)[O-])OC(CC)OC(=O)CC.[K+]

Isomeric SMILES

CCC(OC(=O)CC)OP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)[O-])OC(CC)OC(=O)CC.[K+]

InChI

InChI=1S/C28H39O11PS.K/c1-5-24(29)36-26(7-3)38-40(31,39-27(8-4)37-25(30)6-2)28(41(32,33)34)19-13-15-21-14-12-18-23(20-21)35-22-16-10-9-11-17-22;/h9-12,14,16-18,20,26-28H,5-8,13,15,19H2,1-4H3,(H,32,33,34);/q;+1/p-1