5-chloranylsulfonyl-2-[2-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 5-chloranylsulfonyl-2-[2-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 5-chlorosulfonyl-2-[2-oxo-2-[2-(p-tolylsulfonyl)ethoxy]ethoxy]benzoic acid CAS Name: 5-chlorosulfonyl-2-[2-[2-(4-methylphenyl)sulfonylethoxy]-2-oxoethoxy]benzoic acid IUPAC Name: 5-chlorosulfonyl-2-[2-[2-(4-methylphenyl)sulfonylethoxy]-2-oxoethoxy]benzoic acid Traditional Name: 5-chlorosulfonyl-2-[2-keto-2-(2-tosylethoxy)ethoxy]benzoic acid Formula: C18H17ClO9S2 MolecularWeight: 476.90518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCOC(=O)COC2=C(C=C(C=C2)S(=O)(=O)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCOC(=O)COC2=C(C=C(C=C2)S(=O)(=O)Cl)C(=O)O

InChI

InChI=1S/C18H17ClO9S2/c1-12-2-4-13(5-3-12)29(23,24)9-8-27-17(20)11-28-16-7-6-14(30(19,25)26)10-15(16)18(21)22/h2-7,10H,8-9,11H2,1H3,(H,21,22)