[2-acetyloxy-4-[2-methanoyl-6-[(E)-3-oxidanylprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[2-methanoyl-6-[(E)-3-oxidanylprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[2-formyl-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[2-formyl-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[2-formyl-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[2-formyl-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]phenyl] ester Formula: C22H20O8 MolecularWeight: 412.3894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2C(OC3=C(O2)C=C(C=C3)C=CCO)C=O)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2C(OC3=C(O2)C=C(C=C3)/C=C/CO)C=O)OC(=O)C

InChI

InChI=1S/C22H20O8/c1-13(25)27-17-8-6-16(11-20(17)28-14(2)26)22-21(12-24)29-18-7-5-15(4-3-9-23)10-19(18)30-22/h3-8,10-12,21-23H,9H2,1-2H3/b4-3+