potassium 1-bis[2-methyl-1-(2-methylpropanoyloxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonate

Systemtic Name: potassium 1-bis[2-methyl-1-(2-methylpropanoyloxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonate Openeye Name: potassium 1-bis[2-methyl-1-(2-methylpropanoyloxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonate CAS Name: potassium 1-bis[2-methyl-1-(2-methyl-1-oxopropoxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)-1-butanesulfonate IUPAC Name: potassium 1-bis[2-methyl-1-(2-methylpropanoyloxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonate Traditional Name: potassium 1-bis(1-isobutyryloxy-2-methyl-propoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonate Formula: C32H46KO11PS MolecularWeight: 708.838101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H47O11PS.K/c1-21(2)29(33)40-31(23(5)6)42-44(35,43-32(24(7)8)41-30(34)22(3)4)28(45(36,37)38)19-13-15-25-14-12-18-27(20-25)39-26-16-10-9-11-17-26;/h9-12,14,16-18,20-24,28,31-32H,13,15,19H2,1-8H3,(H,36,37,38);/q;+1/p-1