(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4-tert-butylphenoxy)ethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23ClO5 MolecularWeight: 390.85732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClO5/c1-21(2,3)16-4-6-18(7-5-16)25-12-19(23)26-11-15-9-17(22)8-14-10-24-13-27-20(14)15/h4-9H,10-13H2,1-3H3