2-chloranyl-3-methoxycarbonyl-6-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-3-methoxycarbonyl-6-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-methoxycarbonyl-6-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-methoxycarbonyl-6-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-methoxycarbonyl-6-methylsulfonylbenzoic acid Traditional Name: 3-carbomethoxy-2-chloro-6-mesyl-benzoic acid Formula: C10H9ClO6S MolecularWeight: 292.69286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C(=O)O)Cl

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C(=O)O)Cl

InChI

InChI=1S/C10H9ClO6S/c1-17-10(14)5-3-4-6(18(2,15)16)7(8(5)11)9(12)13/h3-4H,1-2H3,(H,12,13)