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

Systemtic Name: [5-acetyloxy-1,7-bis(3-methoxy-4-oxidanyl-phenyl)heptan-3-yl] ethanoate Openeye Name: [3-acetoxy-5-(4-hydroxy-3-methoxy-phenyl)-1-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]pentyl] acetate CAS Name: acetic acid [5-acetyloxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-yl] ester IUPAC Name: [5-acetyloxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-yl] acetate Traditional Name: acetic acid [3-acetoxy-1-homovanillyl-5-(4-hydroxy-3-methoxy-phenyl)pentyl] ester Formula: C25H32O8 MolecularWeight: 460.51678

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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)O)OC)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32O8/c1-16(26)32-20(9-5-18-7-11-22(28)24(13-18)30-3)15-21(33-17(2)27)10-6-19-8-12-23(29)25(14-19)31-4/h7-8,11-14,20-21,28-29H,5-6,9-10,15H2,1-4H3