2-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]sulfanylethanoic acid Openeye Name: 2-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]sulfanylacetic acid CAS Name: 2-[[4-(2,4,6-trimethylphenyl)sulfonylphenyl]thio]acetic acid IUPAC Name: 2-[4-(2,4,6-trimethylphenyl)sulfonylphenyl]sulfanylacetic acid Traditional Name: 2-[(4-mesitylsulfonylphenyl)thio]acetic acid Formula: C17H18O4S2 MolecularWeight: 350.45242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4S2/c1-11-8-12(2)17(13(3)9-11)23(20,21)15-6-4-14(5-7-15)22-10-16(18)19/h4-9H,10H2,1-3H3,(H,18,19)