[(2R,3R)-7-methoxy-5-oxidanyl-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] 2-methylbutanoate

Systemtic Name: [(2R,3R)-7-methoxy-5-oxidanyl-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] 2-methylbutanoate Openeye Name: [(2R,3R)-5-hydroxy-7-methoxy-4-oxo-2-phenyl-chroman-3-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [(2R,3R)-5-hydroxy-7-methoxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3R)-5-hydroxy-7-methoxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [(2R,3R)-5-hydroxy-4-keto-7-methoxy-2-phenyl-chroman-3-yl] ester Formula: C21H22O6 MolecularWeight: 370.39578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1C(OC2=CC(=CC(=C2C1=O)O)OC)C3=CC=CC=C3

Isomeric SMILES

CCC(C)C(=O)O[C@@H]1[C@H](OC2=CC(=CC(=C2C1=O)O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H22O6/c1-4-12(2)21(24)27-20-18(23)17-15(22)10-14(25-3)11-16(17)26-19(20)13-8-6-5-7-9-13/h5-12,19-20,22H,4H2,1-3H3/t12?,19-,20+/m1/s1