2-chloranyl-5-(oxan-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2-chloranyl-5-(oxan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 2-chloro-5-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid CAS Name: 2-chloro-5-(2-oxanylmethylsulfonyl)benzoic acid IUPAC Name: 2-chloro-5-(oxan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 2-chloro-5-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid Formula: C13H15ClO5S MolecularWeight: 318.7732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CCOC(C1)CS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H15ClO5S/c14-12-5-4-10(7-11(12)13(15)16)20(17,18)8-9-3-1-2-6-19-9/h4-5,7,9H,1-3,6,8H2,(H,15,16)