6-ethyl-4-methyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 6-ethyl-4-methyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 6-ethyl-4-methyl-7-[2-oxo-2-(p-tolyl)ethoxy]chromen-2-one CAS Name: 6-ethyl-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-methyl-7-[2-(4-methylphenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 6-ethyl-7-[2-keto-2-(p-tolyl)ethoxy]-4-methyl-coumarin Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC(=O)C3=CC=C(C=C3)C

InChI

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