2-[4-(2,5-dimethylphenyl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(2,5-dimethylphenyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(2,5-dimethylphenyl)phenyl]sulfanylacetic acid CAS Name: 2-[[4-(2,5-dimethylphenyl)phenyl]thio]acetic acid IUPAC Name: 2-[4-(2,5-dimethylphenyl)phenyl]sulfanylacetic acid Traditional Name: 2-[[4-(2,5-dimethylphenyl)phenyl]thio]acetic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2S/c1-11-3-4-12(2)15(9-11)13-5-7-14(8-6-13)19-10-16(17)18/h3-9H,10H2,1-2H3,(H,17,18)