[(1R,2R)-1-(7-methoxy-2-oxidanylidene-chromen-6-yl)-3-methyl-1,3-bis(oxidanyl)butan-2-yl] 2-methylbutanoate

Systemtic Name: [(1R,2R)-1-(7-methoxy-2-oxidanylidene-chromen-6-yl)-3-methyl-1,3-bis(oxidanyl)butan-2-yl] 2-methylbutanoate Openeye Name: [(1R)-2-hydroxy-1-[(R)-hydroxy-(7-methoxy-2-oxo-chromen-6-yl)methyl]-2-methyl-propyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [(1R,2R)-1,3-dihydroxy-1-(7-methoxy-2-oxo-1-benzopyran-6-yl)-3-methylbutan-2-yl] ester IUPAC Name: [(1R,2R)-1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [(1R)-2-hydroxy-1-[(R)-hydroxy-(2-keto-7-methoxy-chromen-6-yl)methyl]-2-methyl-propyl] ester Formula: C20H26O7 MolecularWeight: 378.41624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O

Isomeric SMILES

CCC(C)C(=O)O[C@H]([C@@H](C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O

InChI

InChI=1S/C20H26O7/c1-6-11(2)19(23)27-18(20(3,4)24)17(22)13-9-12-7-8-16(21)26-14(12)10-15(13)25-5/h7-11,17-18,22,24H,6H2,1-5H3/t11?,17-,18-/m1/s1