sodium 2-hexanoyloxy-3,4,5-trimethyl-benzenesulfonate

Systemtic Name: sodium 2-hexanoyloxy-3,4,5-trimethyl-benzenesulfonate Openeye Name: sodium 2-hexanoyloxy-3,4,5-trimethyl-benzenesulfonate CAS Name: sodium 3,4,5-trimethyl-2-(1-oxohexoxy)benzenesulfonate IUPAC Name: sodium 2-hexanoyloxy-3,4,5-trimethylbenzenesulfonate Traditional Name: sodium 2-caproyloxy-3,4,5-trimethyl-besylate Formula: C15H21NaO5S MolecularWeight: 336.37901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C=C(C(=C1C)C)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC(=O)OC1=C(C=C(C(=C1C)C)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H22O5S.Na/c1-5-6-7-8-14(16)20-15-12(4)11(3)10(2)9-13(15)21(17,18)19;/h9H,5-8H2,1-4H3,(H,17,18,19);/q;+1/p-1