[3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-propyl] ethanoate

Systemtic Name: [3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-propyl] ethanoate Openeye Name: [3-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-propyl] acetate CAS Name: acetic acid [3-(6-bromo-1,3-benzodioxol-5-yl)-2-methylpropyl] ester IUPAC Name: [3-(6-bromo-1,3-benzodioxol-5-yl)-2-methylpropyl] acetate Traditional Name: acetic acid [3-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-propyl] ester Formula: C13H15BrO4 MolecularWeight: 315.1598

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1Br)OCO2)COC(=O)C

Isomeric SMILES

CC(CC1=CC2=C(C=C1Br)OCO2)COC(=O)C

InChI

InChI=1S/C13H15BrO4/c1-8(6-16-9(2)15)3-10-4-12-13(5-11(10)14)18-7-17-12/h4-5,8H,3,6-7H2,1-2H3