potassium 1-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate

Systemtic Name: potassium 1-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate Openeye Name: potassium 1-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate CAS Name: potassium 1-[bis[(2,2-dimethyl-1-oxopropoxy)methoxy]phosphoryl]-4-(3-phenoxyphenyl)-1-butanesulfonate IUPAC Name: potassium 1-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate Traditional Name: potassium 1-[bis(pivaloyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonate Formula: C28H38KO11PS MolecularWeight: 652.731781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)[O-])OCOC(=O)C(C)(C)C.[K+]

Isomeric SMILES

CC(C)(C)C(=O)OCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)[O-])OCOC(=O)C(C)(C)C.[K+]

InChI

InChI=1S/C28H39O11PS.K/c1-27(2,3)25(29)35-19-37-40(31,38-20-36-26(30)28(4,5)6)24(41(32,33)34)17-11-13-21-12-10-16-23(18-21)39-22-14-8-7-9-15-22;/h7-10,12,14-16,18,24H,11,13,17,19-20H2,1-6H3,(H,32,33,34);/q;+1/p-1