methyl (E)-7-[1-(oxan-2-yloxymethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[1-(oxan-2-yloxymethyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]hept-5-enoate Openeye Name: methyl (E)-7-[1-oxo-3-(tetrahydropyran-2-yloxymethyl)indan-2-yl]hept-5-enoate CAS Name: (E)-7-[1-(2-oxanyloxymethyl)-3-oxo-1,2-dihydroinden-2-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[1-(oxan-2-yloxymethyl)-3-oxo-1,2-dihydroinden-2-yl]hept-5-enoate Traditional Name: (E)-7-[1-keto-3-(tetrahydropyran-2-yloxymethyl)indan-2-yl]hept-5-enoic acid methyl ester Formula: C23H30O5 MolecularWeight: 386.4813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(C2=CC=CC=C2C1=O)COC3CCCCO3

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(C2=CC=CC=C2C1=O)COC3CCCCO3

InChI

InChI=1S/C23H30O5/c1-26-21(24)13-5-3-2-4-11-19-20(16-28-22-14-8-9-15-27-22)17-10-6-7-12-18(17)23(19)25/h2,4,6-7,10,12,19-20,22H,3,5,8-9,11,13-16H2,1H3/b4-2+