[3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 4-methylbenzoate

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxochromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-chromen-7-yl] ester Formula: C25H19ClO5 MolecularWeight: 434.86836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC(=C(C(=C4)C)Cl)C

InChI

InChI=1S/C25H19ClO5/c1-14-4-6-17(7-5-14)25(28)31-18-8-9-20-21(12-18)29-13-22(24(20)27)30-19-10-15(2)23(26)16(3)11-19/h4-13H,1-3H3