[(2S)-1-(5,7-dimethoxy-2-oxidanylidene-chromen-8-yl)-3-methyl-3-oxidanyl-butan-2-yl] 3-methylbutanoate

Systemtic Name: [(2S)-1-(5,7-dimethoxy-2-oxidanylidene-chromen-8-yl)-3-methyl-3-oxidanyl-butan-2-yl] 3-methylbutanoate Openeye Name: [(1S)-1-[(5,7-dimethoxy-2-oxo-chromen-8-yl)methyl]-2-hydroxy-2-methyl-propyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(2S)-1-(5,7-dimethoxy-2-oxo-1-benzopyran-8-yl)-3-hydroxy-3-methylbutan-2-yl] ester IUPAC Name: [(2S)-1-(5,7-dimethoxy-2-oxochromen-8-yl)-3-hydroxy-3-methylbutan-2-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(1S)-2-hydroxy-1-[(2-keto-5,7-dimethoxy-chromen-8-yl)methyl]-2-methyl-propyl] ester Formula: C21H28O7 MolecularWeight: 392.44282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C(C)(C)O

Isomeric SMILES

CC(C)CC(=O)O[C@@H](CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C(C)(C)O

InChI

InChI=1S/C21H28O7/c1-12(2)9-19(23)27-17(21(3,4)24)10-14-16(26-6)11-15(25-5)13-7-8-18(22)28-20(13)14/h7-8,11-12,17,24H,9-10H2,1-6H3/t17-/m0/s1