(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-ethylbenzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-ethylbenzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17ClO4 MolecularWeight: 332.77818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C18H17ClO4/c1-2-12-3-5-13(6-4-12)18(20)22-10-15-8-16(19)7-14-9-21-11-23-17(14)15/h3-8H,2,9-11H2,1H3