sodium 4-butan-2-ylbenzenesulfonate

Systemtic Name: sodium 4-butan-2-ylbenzenesulfonate Openeye Name: sodium 4-sec-butylbenzenesulfonate CAS Name: sodium 4-butan-2-ylbenzenesulfonate IUPAC Name: sodium 4-butan-2-ylbenzenesulfonate Traditional Name: sodium 4-sec-butylbesylate Formula: C10H13NaO3S MolecularWeight: 236.26319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O3S.Na/c1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;/h4-8H,3H2,1-2H3,(H,11,12,13);/q;+1/p-1