methyl 4-[3-[5-(4-methoxy-4-oxidanylidene-butyl)-2-oxidanyl-phenyl]-4-oxidanyl-phenyl]butanoate

Systemtic Name: methyl 4-[3-[5-(4-methoxy-4-oxidanylidene-butyl)-2-oxidanyl-phenyl]-4-oxidanyl-phenyl]butanoate Openeye Name: methyl 4-[4-hydroxy-3-[2-hydroxy-5-(4-methoxy-4-oxo-butyl)phenyl]phenyl]butanoate CAS Name: 4-[4-hydroxy-3-[2-hydroxy-5-(4-methoxy-4-oxobutyl)phenyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-hydroxy-3-[2-hydroxy-5-(4-methoxy-4-oxobutyl)phenyl]phenyl]butanoate Traditional Name: 4-[4-hydroxy-3-[2-hydroxy-5-(4-keto-4-methoxy-butyl)phenyl]phenyl]butyric acid methyl ester Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CCCC(=O)OC)O

Isomeric SMILES

COC(=O)CCCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CCCC(=O)OC)O

InChI

InChI=1S/C22H26O6/c1-27-21(25)7-3-5-15-9-11-19(23)17(13-15)18-14-16(10-12-20(18)24)6-4-8-22(26)28-2/h9-14,23-24H,3-8H2,1-2H3