2-bromanyl-5-heptyl-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-bromanyl-5-heptyl-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-bromo-5-heptyl-3-methoxy-6-methyl-1,4-benzoquinone CAS Name: 2-bromo-5-heptyl-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-bromo-5-heptyl-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-bromo-5-heptyl-3-methoxy-6-methyl-p-benzoquinone Formula: C15H21BrO3 MolecularWeight: 329.22944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=O)C(=C(C1=O)OC)Br)C

Isomeric SMILES

CCCCCCCC1=C(C(=O)C(=C(C1=O)OC)Br)C

InChI

InChI=1S/C15H21BrO3/c1-4-5-6-7-8-9-11-10(2)13(17)12(16)15(19-3)14(11)18/h4-9H2,1-3H3