sodium 2-(2,2,3-trimethylhexanoyloxy)benzenesulfonate

Systemtic Name: sodium 2-(2,2,3-trimethylhexanoyloxy)benzenesulfonate Openeye Name: sodium 2-(2,2,3-trimethylhexanoyloxy)benzenesulfonate CAS Name: sodium 2-(2,2,3-trimethyl-1-oxohexoxy)benzenesulfonate IUPAC Name: sodium 2-(2,2,3-trimethylhexanoyloxy)benzenesulfonate Traditional Name: sodium 2-(2,2,3-trimethylhexanoyloxy)besylate Formula: C15H21NaO5S MolecularWeight: 336.37901

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C)(C)C(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC(C)C(C)(C)C(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H22O5S.Na/c1-5-8-11(2)15(3,4)14(16)20-12-9-6-7-10-13(12)21(17,18)19;/h6-7,9-11H,5,8H2,1-4H3,(H,17,18,19);/q;+1/p-1