diethyl 2-[1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methyl]-3-oxidanylidene-pentanedioate

Systemtic Name: diethyl 2-[1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methyl]-3-oxidanylidene-pentanedioate Openeye Name: diethyl 2-[1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methyl]-3-oxo-pentanedioate CAS Name: 2-[1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methyl]-3-oxopentanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methyl]-3-oxopentanedioate Traditional Name: 2-[1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methyl]-3-keto-glutaric acid diethyl ester Formula: C26H30O10 MolecularWeight: 502.5104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C(C(C1=CC2=C(C=C1)OCO2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=O)C(C(C1=CC2=C(C=C1)OCO2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC

InChI

InChI=1S/C26H30O10/c1-6-33-22(28)13-17(27)24(26(29)34-7-2)23(15-8-9-18-19(10-15)36-14-35-18)16-11-20(30-3)25(32-5)21(12-16)31-4/h8-12,23-24H,6-7,13-14H2,1-5H3