(3-butyl-2-oxidanylidene-chromen-4-yl) 4-methylbenzoate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 4-methylbenzoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C21H20O4 MolecularWeight: 336.3811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H20O4/c1-3-4-7-17-19(16-8-5-6-9-18(16)24-21(17)23)25-20(22)15-12-10-14(2)11-13-15/h5-6,8-13H,3-4,7H2,1-2H3