[(1R,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxidanylidene-butyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(1R,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxidanylidene-butyl] 3,4,5-trimethoxybenzoate Openeye Name: [(1R,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxo-butyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(1R,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl] ester IUPAC Name: [(1R,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1R,2R)-3-keto-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-butyl] ester Formula: C23H26O9 MolecularWeight: 446.44714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]([C@H](C1=CC2=C(C(=C1)OC)OCO2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C

InChI

InChI=1S/C23H26O9/c1-12(13(2)24)20(14-7-18(28-5)22-19(8-14)30-11-31-22)32-23(25)15-9-16(26-3)21(29-6)17(10-15)27-4/h7-10,12,20H,11H2,1-6H3/t12-,20+/m0/s1