potassium (1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butane-1-sulfonate

Systemtic Name: potassium (1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butane-1-sulfonate Openeye Name: potassium (1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butane-1-sulfonate CAS Name: potassium (1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)-1-butanesulfonate IUPAC Name: potassium (1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butane-1-sulfonate Traditional Name: potassium (1S)-1-diethoxyphosphoryl-4-(4-phenoxyphenyl)butane-1-sulfonate Formula: C20H26KO7PS MolecularWeight: 480.553301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOP(=O)([C@H](CCCC1=CC=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)[O-])OCC.[K+]

InChI

InChI=1S/C20H27O7PS.K/c1-3-25-28(21,26-4-2)20(29(22,23)24)12-8-9-17-13-15-19(16-14-17)27-18-10-6-5-7-11-18;/h5-7,10-11,13-16,20H,3-4,8-9,12H2,1-2H3,(H,22,23,24);/q;+1/p-1/t20-;/m0./s1