2-[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxypropanoic acid

Systemtic Name: 2-[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxypropanoic acid Openeye Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxypropanoic acid CAS Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxy]propanoic acid IUPAC Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxypropanoic acid Traditional Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxypropionic acid Formula: C22H21ClO5 MolecularWeight: 400.85214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(OC2=C(C1=O)C=C(C=C2)Cl)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)O)OC1=C(OC2=C(C1=O)C=C(C=C2)Cl)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H21ClO5/c1-12(21(25)26)27-20-18(24)16-11-15(23)9-10-17(16)28-19(20)13-5-7-14(8-6-13)22(2,3)4/h5-12H,1-4H3,(H,25,26)