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

Systemtic Name: (2S)-2-[2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl]oxypropanoic acid Openeye Name: (2S)-2-[2-(4-tert-butylphenyl)-4-oxo-chromen-3-yl]oxypropanoic acid CAS Name: (2S)-2-[[2-(4-tert-butylphenyl)-4-oxo-1-benzopyran-3-yl]oxy]propanoic acid IUPAC Name: (2S)-2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxypropanoic acid Traditional Name: (2S)-2-[2-(4-tert-butylphenyl)-4-keto-chromen-3-yl]oxypropionic acid Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)O)OC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H22O5/c1-13(21(24)25)26-20-18(23)16-7-5-6-8-17(16)27-19(20)14-9-11-15(12-10-14)22(2,3)4/h5-13H,1-4H3,(H,24,25)/t13-/m0/s1