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

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

Systemtic Name:2-chloranyl-4-methylsulfonyl-3-(phenoxymethyl)benzoic acid
Openeye Name:2-chloro-4-methylsulfonyl-3-(phenoxymethyl)benzoic acid
CAS Name:2-chloro-4-methylsulfonyl-3-(phenoxymethyl)benzoic acid
IUPAC Name:2-chloro-4-methylsulfonyl-3-(phenoxymethyl)benzoic acid
Traditional Name:2-chloro-4-mesyl-3-(phenoxymethyl)benzoic acid
Formula: C15H13ClO5S
MolecularWeight: 340.77872
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)COC2=CC=CC=C2


Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)COC2=CC=CC=C2


InChI

InChI=1S/C15H13ClO5S/c1-22(19,20)13-8-7-11(15(17)18)14(16)12(13)9-21-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)


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