2-(2-ethylhexanoyloxy)benzenesulfonic acid

Systemtic Name: 2-(2-ethylhexanoyloxy)benzenesulfonic acid Openeye Name: 2-(2-ethylhexanoyloxy)benzenesulfonic acid CAS Name: 2-(2-ethyl-1-oxohexoxy)benzenesulfonic acid IUPAC Name: 2-(2-ethylhexanoyloxy)benzenesulfonic acid Traditional Name: 2-(2-ethylhexanoyloxy)besylic acid Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)OC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C14H20O5S/c1-3-5-8-11(4-2)14(15)19-12-9-6-7-10-13(12)20(16,17)18/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,17,18)