3-chloranyloxycarbonyl-5-sulfo-benzoic acid

Systemtic Name: 3-chloranyloxycarbonyl-5-sulfo-benzoic acid Openeye Name: 3-chlorooxycarbonyl-5-sulfo-benzoic acid CAS Name: 3-[chlorooxy(oxo)methyl]-5-sulfobenzoic acid IUPAC Name: 3-chlorooxycarbonyl-5-sulfobenzoic acid Traditional Name: 3-chlorooxycarbonyl-5-sulfo-benzoic acid Formula: C8H5ClO7S MolecularWeight: 280.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)OCl)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)OCl)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C8H5ClO7S/c9-16-8(12)5-1-4(7(10)11)2-6(3-5)17(13,14)15/h1-3H,(H,10,11)(H,13,14,15)