5-bromanyl-3-methoxy-benzene-1,2-diol hydrate

Systemtic Name: 5-bromanyl-3-methoxy-benzene-1,2-diol hydrate Openeye Name: 5-bromo-3-methoxy-benzene-1,2-diol hydrate CAS Name: 5-bromo-3-methoxybenzene-1,2-diol hydrate IUPAC Name: 5-bromo-3-methoxybenzene-1,2-diol hydrate Traditional Name: 5-bromo-3-methoxy-pyrocatechol hydrate Formula: C7H9BrO4 MolecularWeight: 237.04796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)O)O.O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)O)O.O

InChI

InChI=1S/C7H7BrO3.H2O/c1-11-6-3-4(8)2-5(9)7(6)10;/h2-3,9-10H,1H3;1H2