methyl 3-[3-[[5-(3-methoxy-3-oxidanylidene-propyl)-2-oxidanyl-phenyl]methyl]-4-oxidanyl-cyclohexa-1,3-dien-1-yl]propanoate

Systemtic Name: methyl 3-[3-[[5-(3-methoxy-3-oxidanylidene-propyl)-2-oxidanyl-phenyl]methyl]-4-oxidanyl-cyclohexa-1,3-dien-1-yl]propanoate Openeye Name: methyl 3-[4-hydroxy-3-[[2-hydroxy-5-(3-methoxy-3-oxo-propyl)phenyl]methyl]cyclohexa-1,3-dien-1-yl]propanoate CAS Name: 3-[4-hydroxy-3-[[2-hydroxy-5-(3-methoxy-3-oxopropyl)phenyl]methyl]-1-cyclohexa-1,3-dienyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-hydroxy-3-[[2-hydroxy-5-(3-methoxy-3-oxopropyl)phenyl]methyl]cyclohexa-1,3-dien-1-yl]propanoate Traditional Name: 3-[4-hydroxy-3-[2-hydroxy-5-(3-keto-3-methoxy-propyl)benzyl]cyclohexa-1,3-dien-1-yl]propionic acid methyl ester Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(CC1)O)CC2=C(C=CC(=C2)CCC(=O)OC)O

Isomeric SMILES

COC(=O)CCC1=CC(=C(CC1)O)CC2=C(C=CC(=C2)CCC(=O)OC)O

InChI

InChI=1S/C21H26O6/c1-26-20(24)9-5-14-3-7-18(22)16(11-14)13-17-12-15(4-8-19(17)23)6-10-21(25)27-2/h3,7,11-12,22-23H,4-6,8-10,13H2,1-2H3