ethyl 2-[(6-oxidanyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[(6-oxidanyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-oxo-butanoate CAS Name: 2-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-oxobutanoate Traditional Name: 2-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-keto-butyric acid ethyl ester Formula: C23H26O9 MolecularWeight: 446.44714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2O)OCO3)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2O)OCO3)C(=O)C

InChI

InChI=1S/C23H26O9/c1-6-30-23(26)20(12(2)24)21(14-9-16-17(10-15(14)25)32-11-31-16)13-7-18(27-3)22(29-5)19(8-13)28-4/h7-10,20-21,25H,6,11H2,1-5H3