3-chloranylsulfonyl-4-(4-methoxyphenoxy)-5-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-(4-methoxyphenoxy)-5-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3-benzylsulfanyl-5-chlorosulfonyl-4-(4-methoxyphenoxy)benzoic acid CAS Name: 3-chlorosulfonyl-4-(4-methoxyphenoxy)-5-(phenylmethylthio)benzoic acid IUPAC Name: 3-benzylsulfanyl-5-chlorosulfonyl-4-(4-methoxyphenoxy)benzoic acid Traditional Name: 3-(benzylthio)-5-chlorosulfonyl-4-(4-methoxyphenoxy)benzoic acid Formula: C21H17ClO6S2 MolecularWeight: 464.93908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C21H17ClO6S2/c1-27-16-7-9-17(10-8-16)28-20-18(29-13-14-5-3-2-4-6-14)11-15(21(23)24)12-19(20)30(22,25)26/h2-12H,13H2,1H3,(H,23,24)