4-bromanyl-5-sulfanyl-phthalic acid

Systemtic Name: 4-bromanyl-5-sulfanyl-phthalic acid Openeye Name: 4-bromo-5-sulfanyl-phthalic acid CAS Name: 4-bromo-5-mercaptophthalic acid IUPAC Name: 4-bromo-5-sulfanylphthalic acid Traditional Name: 4-bromo-5-mercapto-phthalic acid Formula: C8H5BrO4S MolecularWeight: 277.0919

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S)Br)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1S)Br)C(=O)O)C(=O)O

InChI

InChI=1S/C8H5BrO4S/c9-5-1-3(7(10)11)4(8(12)13)2-6(5)14/h1-2,14H,(H,10,11)(H,12,13)