(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(2,5-dimethylphenoxy)propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21ClO5 MolecularWeight: 376.83074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C20H21ClO5/c1-13-3-4-14(2)18(7-13)24-6-5-19(22)25-11-16-9-17(21)8-15-10-23-12-26-20(15)16/h3-4,7-9H,5-6,10-12H2,1-2H3