2-[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl]oxyethanoic acid

Systemtic Name: 2-[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl]oxyethanoic acid Openeye Name: 2-[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-chromen-3-yl]oxyacetic acid CAS Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl]oxy]acetic acid IUPAC Name: 2-[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl]oxyacetic acid Traditional Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-keto-7-methyl-chromen-3-yl]oxyacetic acid Formula: C22H21ClO5 MolecularWeight: 400.85214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC(=O)O)C3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC(=O)O)C3=CC=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C22H21ClO5/c1-12-9-17-15(10-16(12)23)19(26)21(27-11-18(24)25)20(28-17)13-5-7-14(8-6-13)22(2,3)4/h5-10H,11H2,1-4H3,(H,24,25)