3,4-dihydro-2H-chromen-4-yl 3-oxidanylidenebutanoate

Systemtic Name: 3,4-dihydro-2H-chromen-4-yl 3-oxidanylidenebutanoate Openeye Name: chroman-4-yl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 3,4-dihydro-2H-1-benzopyran-4-yl ester IUPAC Name: 3,4-dihydro-2H-chromen-4-yl 3-oxobutanoate Traditional Name: 3-ketobutyric acid chroman-4-yl ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OC1CCOC2=CC=CC=C12

Isomeric SMILES

CC(=O)CC(=O)OC1CCOC2=CC=CC=C12

InChI

InChI=1S/C13H14O4/c1-9(14)8-13(15)17-12-6-7-16-11-5-3-2-4-10(11)12/h2-5,12H,6-8H2,1H3