sodium 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propane-1-sulfonate

Systemtic Name: sodium 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propane-1-sulfonate Openeye Name: sodium 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propane-1-sulfonate CAS Name: sodium 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-propanesulfonate IUPAC Name: sodium 3-(3,5-ditert-butyl-4-hydroxyphenyl)propane-1-sulfonate Traditional Name: sodium 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propane-1-sulfonate Formula: C17H27NaO4S MolecularWeight: 350.44865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H28O4S.Na/c1-16(2,3)13-10-12(8-7-9-22(19,20)21)11-14(15(13)18)17(4,5)6;/h10-11,18H,7-9H2,1-6H3,(H,19,20,21);/q;+1/p-1