3-[3-(2-tert-butyl-6-methyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid

Systemtic Name: 3-[3-(2-tert-butyl-6-methyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid Openeye Name: 3-[3-(2-tert-butyl-6-methyl-phenoxy)-4-oxo-chromen-7-yl]oxypropanoic acid CAS Name: 3-[[3-(2-tert-butyl-6-methylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: 3-[3-(2-tert-butyl-6-methylphenoxy)-4-oxochromen-7-yl]oxypropanoic acid Traditional Name: 3-[3-(2-tert-butyl-6-methyl-phenoxy)-4-keto-chromen-7-yl]oxypropionic acid Formula: C23H24O6 MolecularWeight: 396.43306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24O6/c1-14-6-5-7-17(23(2,3)4)22(14)29-19-13-28-18-12-15(27-11-10-20(24)25)8-9-16(18)21(19)26/h5-9,12-13H,10-11H2,1-4H3,(H,24,25)