4-(6-methoxy-3-oxidanylidene-1,4-dihydroisochromen-4-yl)butanal

Systemtic Name: 4-(6-methoxy-3-oxidanylidene-1,4-dihydroisochromen-4-yl)butanal Openeye Name: 4-(6-methoxy-3-oxo-isochroman-4-yl)butanal CAS Name: 4-(6-methoxy-3-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)butanal IUPAC Name: 4-(6-methoxy-3-oxo-1,4-dihydroisochromen-4-yl)butanal Traditional Name: 4-(3-keto-6-methoxy-isochroman-4-yl)butyraldehyde Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(COC(=O)C2CCCC=O)C=C1

Isomeric SMILES

COC1=CC2=C(COC(=O)C2CCCC=O)C=C1

InChI

InChI=1S/C14H16O4/c1-17-11-6-5-10-9-18-14(16)12(13(10)8-11)4-2-3-7-15/h5-8,12H,2-4,9H2,1H3