ethyl 2-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-3-oxo-butanoate CAS Name: 2-(3-hexyl-6,7-dimethoxy-1H-2-benzopyran-1-yl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-3-oxobutanoate Traditional Name: 2-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-3-keto-butyric acid ethyl ester Formula: C23H32O6 MolecularWeight: 404.49658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC(=C(C=C2C(O1)C(C(=O)C)C(=O)OCC)OC)OC

Isomeric SMILES

CCCCCCC1=CC2=CC(=C(C=C2C(O1)C(C(=O)C)C(=O)OCC)OC)OC

InChI

InChI=1S/C23H32O6/c1-6-8-9-10-11-17-12-16-13-19(26-4)20(27-5)14-18(16)22(29-17)21(15(3)24)23(25)28-7-2/h12-14,21-22H,6-11H2,1-5H3