(3-chloranyl-4-oxidanylidene-chromen-7-yl) 4-tert-butylbenzoate

Systemtic Name: (3-chloranyl-4-oxidanylidene-chromen-7-yl) 4-tert-butylbenzoate Openeye Name: (3-chloro-4-oxo-chromen-7-yl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (3-chloro-4-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-chloro-4-oxochromen-7-yl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (3-chloro-4-keto-chromen-7-yl) ester Formula: C20H17ClO4 MolecularWeight: 356.79958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)Cl

InChI

InChI=1S/C20H17ClO4/c1-20(2,3)13-6-4-12(5-7-13)19(23)25-14-8-9-15-17(10-14)24-11-16(21)18(15)22/h4-11H,1-3H3