[5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] 2,2-dimethylpropanoate

Systemtic Name: [5-chloranyl-2-oxidanylidene-3-(phenylmethyl)chromen-4-yl] 2,2-dimethylpropanoate Openeye Name: (3-benzyl-5-chloro-2-oxo-chromen-4-yl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-chloro-2-oxo-3-(phenylmethyl)-1-benzopyran-4-yl] ester IUPAC Name: (3-benzyl-5-chloro-2-oxochromen-4-yl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (3-benzyl-5-chloro-2-keto-chromen-4-yl) ester Formula: C21H19ClO4 MolecularWeight: 370.82616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C(=O)OC2=C1C(=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C(=O)OC2=C1C(=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H19ClO4/c1-21(2,3)20(24)26-18-14(12-13-8-5-4-6-9-13)19(23)25-16-11-7-10-15(22)17(16)18/h4-11H,12H2,1-3H3