2-chloranyl-3-(methoxymethyl)-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-3-(methoxymethyl)-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-(methoxymethyl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-(methoxymethyl)-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-(methoxymethyl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-4-mesyl-3-(methoxymethyl)benzoic acid Formula: C10H11ClO5S MolecularWeight: 278.70934

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

COCC1=C(C=CC(=C1Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C10H11ClO5S/c1-16-5-7-8(17(2,14)15)4-3-6(9(7)11)10(12)13/h3-4H,5H2,1-2H3,(H,12,13)