potassium 3-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyloxy]propane-1-sulfonate

Systemtic Name: potassium 3-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyloxy]propane-1-sulfonate Openeye Name: potassium 3-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyloxy]propane-1-sulfonate CAS Name: potassium 3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropoxy]-1-propanesulfonate IUPAC Name: potassium 3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]propane-1-sulfonate Traditional Name: potassium 3-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyloxy]propane-1-sulfonate Formula: C20H31KO6S MolecularWeight: 438.61984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCS(=O)(=O)[O-].[K+]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCCS(=O)(=O)[O-].[K+]

InChI

InChI=1S/C20H32O6S.K/c1-19(2,3)15-12-14(13-16(18(15)22)20(4,5)6)8-9-17(21)26-10-7-11-27(23,24)25;/h12-13,22H,7-11H2,1-6H3,(H,23,24,25);/q;+1/p-1