sodium 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfonylhexanoate

Systemtic Name: sodium 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfonylhexanoate Openeye Name: sodium 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfonylhexanoate CAS Name: sodium 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfonylhexanoate IUPAC Name: sodium 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfonylhexanoate Traditional Name: sodium 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfonylhexanoate Formula: C20H31NaO5S MolecularWeight: 406.51191

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])S(=O)(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.[Na+]

Isomeric SMILES

CCCCC(C(=O)[O-])S(=O)(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.[Na+]

InChI

InChI=1S/C20H32O5S.Na/c1-8-9-10-16(18(22)23)26(24,25)13-11-14(19(2,3)4)17(21)15(12-13)20(5,6)7;/h11-12,16,21H,8-10H2,1-7H3,(H,22,23);/q;+1/p-1