2-[2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethanoate

Systemtic Name: 2-[2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethanoate Openeye Name: 2-[2-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]acetate CAS Name: 2-[2-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]acetate IUPAC Name: 2-[2-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]acetate Traditional Name: 2-[2-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]acetate Formula: C22H23O7- MolecularWeight: 399.41382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2COC3=C(O2)C=CC(=C3)CC(=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2COC3=C(O2)C=CC(=C3)CC(=O)[O-]

InChI

InChI=1S/C22H24O7/c1-3-4-17-18(8-6-16(13(2)23)22(17)26)27-11-15-12-28-20-9-14(10-21(24)25)5-7-19(20)29-15/h5-9,15,26H,3-4,10-12H2,1-2H3,(H,24,25)/p-1