3-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-5-yl)oxypropyl ethanoate

Systemtic Name: 3-(3-octoxy-2-oxidanyl-4-oxidanylidene-chromen-5-yl)oxypropyl ethanoate Openeye Name: 3-(2-hydroxy-3-octoxy-4-oxo-chromen-5-yl)oxypropyl acetate CAS Name: acetic acid 3-[(2-hydroxy-3-octoxy-4-oxo-1-benzopyran-5-yl)oxy]propyl ester IUPAC Name: 3-(2-hydroxy-3-octoxy-4-oxochromen-5-yl)oxypropyl acetate Traditional Name: acetic acid 3-(2-hydroxy-4-keto-3-octoxy-chromen-5-yl)oxypropyl 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)OCCCOC(=O)C)O

Isomeric SMILES

CCCCCCCCOC1=C(OC2=C(C1=O)C(=CC=C2)OCCCOC(=O)C)O

InChI

InChI=1S/C22H30O7/c1-3-4-5-6-7-8-13-28-21-20(24)19-17(27-15-10-14-26-16(2)23)11-9-12-18(19)29-22(21)25/h9,11-12,25H,3-8,10,13-15H2,1-2H3