sodium 4-tert-butylbenzenesulfonate

Systemtic Name: sodium 4-tert-butylbenzenesulfonate Openeye Name: sodium 4-tert-butylbenzenesulfonate CAS Name: sodium 4-tert-butylbenzenesulfonate IUPAC Name: sodium 4-tert-butylbenzenesulfonate Traditional Name: sodium 4-tert-butylbesylate Formula: C10H13NaO3S MolecularWeight: 236.26319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O3S.Na/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;/h4-7H,1-3H3,(H,11,12,13);/q;+1/p-1