5-chloranyl-3-(cyanomethylsulfonyl)-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-3-(cyanomethylsulfonyl)-2-methoxy-benzoic acid Openeye Name: 5-chloro-3-(cyanomethylsulfonyl)-2-methoxy-benzoic acid CAS Name: 5-chloro-3-(cyanomethylsulfonyl)-2-methoxybenzoic acid IUPAC Name: 5-chloro-3-(cyanomethylsulfonyl)-2-methoxybenzoic acid Traditional Name: 5-chloro-3-(cyanomethylsulfonyl)-2-methoxy-benzoic acid Formula: C10H8ClNO5S MolecularWeight: 289.69222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CC#N

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CC#N

InChI

InChI=1S/C10H8ClNO5S/c1-17-9-7(10(13)14)4-6(11)5-8(9)18(15,16)3-2-12/h4-5H,3H2,1H3,(H,13,14)