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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)C3=CC=CC=C3C

InChI

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