[5-acetyloxy-7-[3-methoxy-4,5-bis(oxidanyl)phenyl]-1-(3-methoxy-4-oxidanyl-phenyl)heptan-3-yl] ethanoate

Systemtic Name: [5-acetyloxy-7-[3-methoxy-4,5-bis(oxidanyl)phenyl]-1-(3-methoxy-4-oxidanyl-phenyl)heptan-3-yl] ethanoate Openeye Name: [3-acetoxy-5-(3,4-dihydroxy-5-methoxy-phenyl)-1-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]pentyl] acetate CAS Name: acetic acid [5-acetyloxy-7-(3,4-dihydroxy-5-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)heptan-3-yl] ester IUPAC Name: [5-acetyloxy-7-(3,4-dihydroxy-5-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)heptan-3-yl] acetate Traditional Name: acetic acid [3-acetoxy-5-(3,4-dihydroxy-5-methoxy-phenyl)-1-homovanillyl-pentyl] ester Formula: C25H32O9 MolecularWeight: 476.51618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC1=CC(=C(C=C1)O)OC)CC(CCC2=CC(=C(C(=C2)OC)O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC(CCC1=CC(=C(C=C1)O)OC)CC(CCC2=CC(=C(C(=C2)OC)O)O)OC(=O)C

InChI

InChI=1S/C25H32O9/c1-15(26)33-19(8-5-17-7-10-21(28)23(12-17)31-3)14-20(34-16(2)27)9-6-18-11-22(29)25(30)24(13-18)32-4/h7,10-13,19-20,28-30H,5-6,8-9,14H2,1-4H3