sodium 5-tert-butyl-2,3-dimethyl-benzenesulfonate

Systemtic Name: sodium 5-tert-butyl-2,3-dimethyl-benzenesulfonate Openeye Name: sodium 5-tert-butyl-2,3-dimethyl-benzenesulfonate CAS Name: sodium 5-tert-butyl-2,3-dimethylbenzenesulfonate IUPAC Name: sodium 5-tert-butyl-2,3-dimethylbenzenesulfonate Traditional Name: sodium 5-tert-butyl-2,3-dimethyl-besylate Formula: C12H17NaO3S MolecularWeight: 264.31635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C12H18O3S.Na/c1-8-6-10(12(3,4)5)7-11(9(8)2)16(13,14)15;/h6-7H,1-5H3,(H,13,14,15);/q;+1/p-1