2-[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-3-oxidanyl-2,4-dihydro-1,5-benzodioxepin-7-yl]ethanoate

Systemtic Name: 2-[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-3-oxidanyl-2,4-dihydro-1,5-benzodioxepin-7-yl]ethanoate Openeye Name: 2-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-hydroxy-2,4-dihydro-1,5-benzodioxepin-7-yl]acetate CAS Name: 2-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-hydroxy-2,4-dihydro-1,5-benzodioxepin-7-yl]acetate IUPAC Name: 2-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-hydroxy-2,4-dihydro-1,5-benzodioxepin-7-yl]acetate Traditional Name: 2-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-hydroxy-2,4-dihydro-1,5-benzodioxepin-7-yl]acetate Formula: C23H25O8- MolecularWeight: 429.4398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2(COC3=C(C=C(C=C3)CC(=O)[O-])OC2)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2(COC3=C(C=C(C=C3)CC(=O)[O-])OC2)O

InChI

InChI=1S/C23H26O8/c1-3-4-17-18(8-6-16(14(2)24)22(17)27)29-11-23(28)12-30-19-7-5-15(10-21(25)26)9-20(19)31-13-23/h5-9,27-28H,3-4,10-13H2,1-2H3,(H,25,26)/p-1