(4,8-dimethyl-2-oxidanylidene-6-propanoyl-chromen-7-yl) benzoate

Systemtic Name: (4,8-dimethyl-2-oxidanylidene-6-propanoyl-chromen-7-yl) benzoate Openeye Name: (4,8-dimethyl-2-oxo-6-propanoyl-chromen-7-yl) benzoate CAS Name: benzoic acid [4,8-dimethyl-2-oxo-6-(1-oxopropyl)-1-benzopyran-7-yl] ester IUPAC Name: (4,8-dimethyl-2-oxo-6-propanoylchromen-7-yl) benzoate Traditional Name: benzoic acid (2-keto-4,8-dimethyl-6-propionyl-chromen-7-yl) ester Formula: C21H18O5 MolecularWeight: 350.36462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18O5/c1-4-17(22)16-11-15-12(2)10-18(23)25-19(15)13(3)20(16)26-21(24)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3