potassium 1-bis(2-methyl-1-propanoyloxy-propoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonate

Systemtic Name: potassium 1-bis(2-methyl-1-propanoyloxy-propoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonate Openeye Name: potassium 1-bis(2-methyl-1-propanoyloxy-propoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonate CAS Name: potassium 1-bis[2-methyl-1-(1-oxopropoxy)propoxy]phosphoryl-4-(3-phenoxyphenyl)-1-butanesulfonate IUPAC Name: potassium 1-bis(2-methyl-1-propanoyloxypropoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonate Traditional Name: potassium 1-bis(2-methyl-1-propionyloxy-propoxy)phosphoryl-4-(3-phenoxyphenyl)butane-1-sulfonate Formula: C30H42KO11PS MolecularWeight: 680.784941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43O11PS.K/c1-7-26(31)38-29(21(3)4)40-42(33,41-30(22(5)6)39-27(32)8-2)28(43(34,35)36)19-13-15-23-14-12-18-25(20-23)37-24-16-10-9-11-17-24;/h9-12,14,16-18,20-22,28-30H,7-8,13,15,19H2,1-6H3,(H,34,35,36);/q;+1/p-1