(2S)-2-[4-oxidanylidene-3-(2,3,6-trimethylphenoxy)chromen-7-yl]oxypropanoic acid

Systemtic Name: (2S)-2-[4-oxidanylidene-3-(2,3,6-trimethylphenoxy)chromen-7-yl]oxypropanoic acid Openeye Name: (2S)-2-[4-oxo-3-(2,3,6-trimethylphenoxy)chromen-7-yl]oxypropanoic acid CAS Name: (2S)-2-[[4-oxo-3-(2,3,6-trimethylphenoxy)-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: (2S)-2-[4-oxo-3-(2,3,6-trimethylphenoxy)chromen-7-yl]oxypropanoic acid Traditional Name: (2S)-2-[4-keto-3-(2,3,6-trimethylphenoxy)chromen-7-yl]oxypropionic acid Formula: C21H20O6 MolecularWeight: 368.3799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(C)C(=O)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC2=COC3=C(C2=O)C=CC(=C3)O[C@@H](C)C(=O)O)C

InChI

InChI=1S/C21H20O6/c1-11-5-6-12(2)20(13(11)3)27-18-10-25-17-9-15(26-14(4)21(23)24)7-8-16(17)19(18)22/h5-10,14H,1-4H3,(H,23,24)/t14-/m0/s1