(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(4-tert-butylphenoxy)ethanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C20H21BrO5 MolecularWeight: 421.28174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C20H21BrO5/c1-20(2,3)14-4-6-15(7-5-14)23-11-19(22)24-10-13-8-17-18(9-16(13)21)26-12-25-17/h4-9H,10-12H2,1-3H3