(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-phenoxypropanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-phenoxypropanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H20O6 MolecularWeight: 368.3799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C(C)OC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H](C)OC3=CC=CC=C3)O

InChI

InChI=1S/C21H20O6/c1-3-14-9-17-15(10-20(23)27-19(17)11-18(14)22)12-25-21(24)13(2)26-16-7-5-4-6-8-16/h4-11,13,22H,3,12H2,1-2H3/t13-/m0/s1