(2-oxidanylidene-1,3-benzoxathiol-5-yl) hexanoate

Systemtic Name: (2-oxidanylidene-1,3-benzoxathiol-5-yl) hexanoate Openeye Name: (2-oxo-1,3-benzoxathiol-5-yl) hexanoate CAS Name: hexanoic acid (2-oxo-1,3-benzoxathiol-5-yl) ester IUPAC Name: (2-oxo-1,3-benzoxathiol-5-yl) hexanoate Traditional Name: hexanoic acid (2-keto-1,3-benzoxathiol-5-yl) ester Formula: C13H14O4S MolecularWeight: 266.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC2=C(C=C1)OC(=O)S2

Isomeric SMILES

CCCCCC(=O)OC1=CC2=C(C=C1)OC(=O)S2

InChI

InChI=1S/C13H14O4S/c1-2-3-4-5-12(14)16-9-6-7-10-11(8-9)18-13(15)17-10/h6-8H,2-5H2,1H3