methyl (E)-7-(3-oxidanylidene-1,4-dihydroisochromen-4-yl)hept-2-enoate

Systemtic Name: methyl (E)-7-(3-oxidanylidene-1,4-dihydroisochromen-4-yl)hept-2-enoate Openeye Name: methyl (E)-7-(3-oxoisochroman-4-yl)hept-2-enoate CAS Name: (E)-7-(3-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-(3-oxo-1,4-dihydroisochromen-4-yl)hept-2-enoate Traditional Name: (E)-7-(3-ketoisochroman-4-yl)hept-2-enoic acid methyl ester Formula: C17H20O4 MolecularWeight: 288.3383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCCCC1C2=CC=CC=C2COC1=O

Isomeric SMILES

COC(=O)/C=C/CCCCC1C2=CC=CC=C2COC1=O

InChI

InChI=1S/C17H20O4/c1-20-16(18)11-5-3-2-4-10-15-14-9-7-6-8-13(14)12-21-17(15)19/h5-9,11,15H,2-4,10,12H2,1H3/b11-5+