ethyl 2-[(3-hexoxy-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxymethyl]butanoate

Systemtic Name: ethyl 2-[(3-hexoxy-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxymethyl]butanoate Openeye Name: ethyl 2-[(3-hexoxy-2-hydroxy-4-oxo-chromen-7-yl)oxymethyl]butanoate CAS Name: 2-[(3-hexoxy-2-hydroxy-4-oxo-1-benzopyran-7-yl)oxymethyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-hexoxy-2-hydroxy-4-oxochromen-7-yl)oxymethyl]butanoate Traditional Name: 2-[(3-hexoxy-2-hydroxy-4-keto-chromen-7-yl)oxymethyl]butyric acid ethyl ester Formula: C22H30O7 MolecularWeight: 406.4694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(OC2=C(C1=O)C=CC(=C2)OCC(CC)C(=O)OCC)O

Isomeric SMILES

CCCCCCOC1=C(OC2=C(C1=O)C=CC(=C2)OCC(CC)C(=O)OCC)O

InChI

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