3-chloranyloxycarbonyl-5-sulfo-benzoate

Systemtic Name: 3-chloranyloxycarbonyl-5-sulfo-benzoate Openeye Name: 3-chlorooxycarbonyl-5-sulfo-benzoate CAS Name: 3-[chlorooxy(oxo)methyl]-5-sulfobenzoate IUPAC Name: 3-chlorooxycarbonyl-5-sulfobenzoate Traditional Name: 3-chlorooxycarbonyl-5-sulfo-benzoate Formula: C8H4ClO7S- MolecularWeight: 279.63116

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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)/p-1