(2-methyl-4-oxidanylidene-pyran-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-4-oxidanylidene-pyran-3-yl) 4-methylbenzenesulfonate Openeye Name: (2-methyl-4-oxo-pyran-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-4-oxo-3-pyranyl) ester IUPAC Name: (2-methyl-4-oxopyran-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-keto-2-methyl-pyran-3-yl) ester Formula: C13H12O5S MolecularWeight: 280.29638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC=CC2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC=CC2=O)C

InChI

InChI=1S/C13H12O5S/c1-9-3-5-11(6-4-9)19(15,16)18-13-10(2)17-8-7-12(13)14/h3-8H,1-2H3