[3-(2-chlorophenyl)-4-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate

Systemtic Name: [3-(2-chlorophenyl)-4-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(2-chlorophenyl)-4-oxo-chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(2-chlorophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chlorophenyl)-4-oxochromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(2-chlorophenyl)-4-keto-chromen-7-yl] ester Formula: C26H21ClO4 MolecularWeight: 432.89554

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)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H21ClO4/c1-26(2,3)17-10-8-16(9-11-17)25(29)31-18-12-13-20-23(14-18)30-15-21(24(20)28)19-6-4-5-7-22(19)27/h4-15H,1-3H3