methyl 5-[3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]pentanoate

Systemtic Name: methyl 5-[3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]pentanoate Openeye Name: methyl 5-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-2-yl]pentanoate CAS Name: 5-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-2-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromen-2-yl]pentanoate Traditional Name: 5-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-2-yl]valeric acid methyl ester Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)O

Isomeric SMILES

COC(=O)CCCCC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H20O7/c1-27-18(25)5-3-2-4-16-19(12-6-8-13(22)9-7-12)21(26)20-15(24)10-14(23)11-17(20)28-16/h6-11,22-24H,2-5H2,1H3