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

Systemtic Name: 3-[3-(2-tert-butyl-4-methyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid Openeye Name: 3-[3-(2-tert-butyl-4-methyl-phenoxy)-4-oxo-chromen-7-yl]oxypropanoic acid CAS Name: 3-[[3-(2-tert-butyl-4-methylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: 3-[3-(2-tert-butyl-4-methylphenoxy)-4-oxochromen-7-yl]oxypropanoic acid Traditional Name: 3-[3-(2-tert-butyl-4-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=CC(=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCCC(=O)O)C(C)(C)C

Isomeric SMILES

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

InChI

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