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

Systemtic Name: 2-[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxyethanoic acid Openeye Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxyacetic acid CAS Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxy]acetic acid IUPAC Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxyacetic acid Traditional Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxyacetic acid Formula: C21H19ClO5 MolecularWeight: 386.82556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)O

InChI

InChI=1S/C21H19ClO5/c1-21(2,3)13-6-4-12(5-7-13)19-20(26-11-17(23)24)18(25)15-10-14(22)8-9-16(15)27-19/h4-10H,11H2,1-3H3,(H,23,24)