ethyl 3-[(5aR,9aS)-6-oxidanylidene-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]propanoate

Systemtic Name: ethyl 3-[(5aR,9aS)-6-oxidanylidene-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]propanoate Openeye Name: ethyl 3-[(5aR,9aS)-6-oxo-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]propanoate CAS Name: 3-[(5aR,9aS)-6-oxo-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(5aR,9aS)-6-oxo-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]propanoate Traditional Name: 3-[(5aR,9aS)-6-keto-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]propionic acid ethyl ester Formula: C17H20O4 MolecularWeight: 288.3383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=CC2=C1OC3C2CCCC3=O

Isomeric SMILES

CCOC(=O)CCC1=CC=CC2=C1O[C@@H]3[C@H]2CCCC3=O

InChI

InChI=1S/C17H20O4/c1-2-20-15(19)10-9-11-5-3-6-12-13-7-4-8-14(18)17(13)21-16(11)12/h3,5-6,13,17H,2,4,7-10H2,1H3/t13-,17+/m0/s1