ethyl 3-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-5-yl)oxypropanoate

Systemtic Name: ethyl 3-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-5-yl)oxypropanoate Openeye Name: ethyl 3-(2-hydroxy-3-octoxy-4-oxo-chromen-5-yl)oxypropanoate CAS Name: 3-[(2-hydroxy-3-octoxy-4-oxo-1-benzopyran-5-yl)oxy]propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-hydroxy-3-octoxy-4-oxochromen-5-yl)oxypropanoate Traditional Name: 3-(2-hydroxy-4-keto-3-octoxy-chromen-5-yl)oxypropionic acid ethyl ester Formula: C22H30O7 MolecularWeight: 406.4694

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