ethyl 3-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxypropanoate

Systemtic Name: ethyl 3-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxypropanoate Openeye Name: ethyl 3-(2-hydroxy-3-octoxy-4-oxo-chromen-7-yl)oxypropanoate CAS Name: 3-[(2-hydroxy-3-octoxy-4-oxo-1-benzopyran-7-yl)oxy]propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-hydroxy-3-octoxy-4-oxochromen-7-yl)oxypropanoate Traditional Name: 3-(2-hydroxy-4-keto-3-octoxy-chromen-7-yl)oxypropionic acid ethyl ester Formula: C22H30O7 MolecularWeight: 406.4694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(OC2=C(C1=O)C=CC(=C2)OCCC(=O)OCC)O

Isomeric SMILES

CCCCCCCCOC1=C(OC2=C(C1=O)C=CC(=C2)OCCC(=O)OCC)O

InChI

InChI=1S/C22H30O7/c1-3-5-6-7-8-9-13-28-21-20(24)17-11-10-16(15-18(17)29-22(21)25)27-14-12-19(23)26-4-2/h10-11,15,25H,3-9,12-14H2,1-2H3