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

Systemtic Name: (2-methyl-4-oxidanylidene-pyran-3-yl) benzoate Openeye Name: (2-methyl-4-oxo-pyran-3-yl) benzoate CAS Name: benzoic acid (2-methyl-4-oxo-3-pyranyl) ester IUPAC Name: (2-methyl-4-oxopyran-3-yl) benzoate Traditional Name: benzoic acid (4-keto-2-methyl-pyran-3-yl) ester Formula: C13H10O4 MolecularWeight: 230.2161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CO1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)C=CO1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H10O4/c1-9-12(11(14)7-8-16-9)17-13(15)10-5-3-2-4-6-10/h2-8H,1H3