3-bromanyl-6-butyl-benzene-1,2-diolate

Systemtic Name: 3-bromanyl-6-butyl-benzene-1,2-diolate Openeye Name: 3-bromo-6-butyl-benzene-1,2-diolate CAS Name: 3-bromo-6-butylbenzene-1,2-diolate IUPAC Name: 3-bromo-6-butylbenzene-1,2-diolate Traditional Name: 3-bromo-6-butyl-benzene-1,2-diolate Formula: C10H11BrO2-2 MolecularWeight: 243.09714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)Br)[O-])[O-]

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)Br)[O-])[O-]

InChI

InChI=1S/C10H13BrO2/c1-2-3-4-7-5-6-8(11)10(13)9(7)12/h5-6,12-13H,2-4H2,1H3/p-2