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

Systemtic Name: [2-(4-chlorophenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 4-tert-butylbenzoate Openeye Name: [2-(4-chlorophenyl)-7-methyl-4-oxo-chromen-3-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-(4-chlorophenyl)-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(4-chlorophenyl)-4-keto-7-methyl-chromen-3-yl] ester Formula: C27H23ClO4 MolecularWeight: 446.92212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H23ClO4/c1-16-5-14-21-22(15-16)31-24(17-8-12-20(28)13-9-17)25(23(21)29)32-26(30)18-6-10-19(11-7-18)27(2,3)4/h5-15H,1-4H3