sodium 4-bromanyl-2-methoxycarbonyl-benzoate

Systemtic Name: sodium 4-bromanyl-2-methoxycarbonyl-benzoate Openeye Name: sodium 4-bromo-2-methoxycarbonyl-benzoate CAS Name: sodium 4-bromo-2-methoxycarbonylbenzoate IUPAC Name: sodium 4-bromo-2-methoxycarbonylbenzoate Traditional Name: sodium 4-bromo-2-carbomethoxy-benzoate Formula: C9H6BrNaO4 MolecularWeight: 281.03531

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)C(=O)[O-].[Na+]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)C(=O)[O-].[Na+]

InChI

InChI=1S/C9H7BrO4.Na/c1-14-9(13)7-4-5(10)2-3-6(7)8(11)12;/h2-4H,1H3,(H,11,12);/q;+1/p-1