3-chloranyl-5-methoxy-4-(phenylmethyl)sulfonyloxy-benzoic acid

Systemtic Name: 3-chloranyl-5-methoxy-4-(phenylmethyl)sulfonyloxy-benzoic acid Openeye Name: 4-benzylsulfonyloxy-3-chloro-5-methoxy-benzoic acid CAS Name: 3-chloro-5-methoxy-4-(phenylmethyl)sulfonyloxybenzoic acid IUPAC Name: 4-benzylsulfonyloxy-3-chloro-5-methoxybenzoic acid Traditional Name: 4-benzylsulfonyloxy-3-chloro-5-methoxy-benzoic acid Formula: C15H13ClO6S MolecularWeight: 356.77812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C15H13ClO6S/c1-21-13-8-11(15(17)18)7-12(16)14(13)22-23(19,20)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)