4-[2-(4-methylphenoxy)ethylsulfanyl]-2-(4-methylphenyl)sulfonyl-butanoic acid

Systemtic Name: 4-[2-(4-methylphenoxy)ethylsulfanyl]-2-(4-methylphenyl)sulfonyl-butanoic acid Openeye Name: 4-[2-(4-methylphenoxy)ethylsulfanyl]-2-(p-tolylsulfonyl)butanoic acid CAS Name: 4-[2-(4-methylphenoxy)ethylthio]-2-(4-methylphenyl)sulfonylbutanoic acid IUPAC Name: 4-[2-(4-methylphenoxy)ethylsulfanyl]-2-(4-methylphenyl)sulfonylbutanoic acid Traditional Name: 4-[2-(4-methylphenoxy)ethylthio]-2-tosyl-butyric acid Formula: C20H24O5S2 MolecularWeight: 408.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCSCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCSCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H24O5S2/c1-15-3-7-17(8-4-15)25-12-14-26-13-11-19(20(21)22)27(23,24)18-9-5-16(2)6-10-18/h3-10,19H,11-14H2,1-2H3,(H,21,22)