benzene; (1-bromanyl-2-methyl-propyl) ethanoate

Systemtic Name: benzene; (1-bromanyl-2-methyl-propyl) ethanoate Openeye Name: benzene; (1-bromo-2-methyl-propyl) acetate CAS Name: acetic acid (1-bromo-2-methylpropyl) ester; benzene IUPAC Name: benzene; (1-bromo-2-methylpropyl) acetate Traditional Name: acetic acid (1-bromo-2-methyl-propyl) ester; benzene Formula: C12H17BrO2 MolecularWeight: 273.16618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(OC(=O)C)Br.C1=CC=CC=C1

Isomeric SMILES

CC(C)C(OC(=O)C)Br.C1=CC=CC=C1

InChI

InChI=1S/C6H11BrO2.C6H6/c1-4(2)6(7)9-5(3)8;1-2-4-6-5-3-1/h4,6H,1-3H3;1-6H