(2S)-2-[3-(2-tert-butyl-4-methyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid

Systemtic Name: (2S)-2-[3-(2-tert-butyl-4-methyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid Openeye Name: (2S)-2-[3-(2-tert-butyl-4-methyl-phenoxy)-4-oxo-chromen-7-yl]oxypropanoic acid CAS Name: (2S)-2-[[3-(2-tert-butyl-4-methylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: (2S)-2-[3-(2-tert-butyl-4-methylphenoxy)-4-oxochromen-7-yl]oxypropanoic acid Traditional Name: (2S)-2-[3-(2-tert-butyl-4-methyl-phenoxy)-4-keto-chromen-7-yl]oxypropionic acid Formula: C23H24O6 MolecularWeight: 396.43306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24O6/c1-13-6-9-18(17(10-13)23(3,4)5)29-20-12-27-19-11-15(28-14(2)22(25)26)7-8-16(19)21(20)24/h6-12,14H,1-5H3,(H,25,26)/t14-/m0/s1