(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H19ClO5 MolecularWeight: 422.85766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C24H19ClO5/c1-15-6-8-16(9-7-15)22(26)20-4-2-3-5-21(20)24(27)29-13-18-11-19(25)10-17-12-28-14-30-23(17)18/h2-11H,12-14H2,1H3