2-hexanoyloxy-3,4,5-trimethyl-benzenesulfonic acid

Systemtic Name: 2-hexanoyloxy-3,4,5-trimethyl-benzenesulfonic acid Openeye Name: 2-hexanoyloxy-3,4,5-trimethyl-benzenesulfonic acid CAS Name: 3,4,5-trimethyl-2-(1-oxohexoxy)benzenesulfonic acid IUPAC Name: 2-hexanoyloxy-3,4,5-trimethylbenzenesulfonic acid Traditional Name: 2-caproyloxy-3,4,5-trimethyl-besylic acid Formula: C15H22O5S MolecularWeight: 314.39718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C=C(C(=C1C)C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCC(=O)OC1=C(C=C(C(=C1C)C)C)S(=O)(=O)O

InChI

InChI=1S/C15H22O5S/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)