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

Systemtic Name: (2S)-2-[3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl]oxypropanoic acid Openeye Name: (2S)-2-[3-(4-tert-butylphenoxy)-4-oxo-chromen-7-yl]oxypropanoic acid CAS Name: (2S)-2-[[3-(4-tert-butylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]propanoic acid IUPAC Name: (2S)-2-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxypropanoic acid Traditional Name: (2S)-2-[3-(4-tert-butylphenoxy)-4-keto-chromen-7-yl]oxypropionic acid Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H22O6/c1-13(21(24)25)27-16-9-10-17-18(11-16)26-12-19(20(17)23)28-15-7-5-14(6-8-15)22(2,3)4/h5-13H,1-4H3,(H,24,25)/t13-/m0/s1