3-bromanyl-2-methoxy-5-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 3-bromanyl-2-methoxy-5-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-bromo-2-methoxy-5-methyl-1,4-benzoquinone CAS Name: 3-bromo-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-bromo-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 3-bromo-2-methoxy-5-methyl-p-benzoquinone Formula: C8H7BrO3 MolecularWeight: 232.036035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(C1=O)Br)OC

Isomeric SMILES

CC1=CC(=O)C(=[13C](C1=O)Br)OC

InChI

InChI=1S/C8H7BrO3/c1-4-3-5(10)8(12-2)6(9)7(4)11/h3H,1-2H3/i6+1