2-(2,5-dimethylphenyl)carbothioylsulfanylethanoic acid

Systemtic Name: 2-(2,5-dimethylphenyl)carbothioylsulfanylethanoic acid Openeye Name: 2-(2,5-dimethylbenzenecarbothioyl)sulfanylacetic acid CAS Name: 2-[[(2,5-dimethylphenyl)-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-(2,5-dimethylbenzenecarbothioyl)sulfanylacetic acid Traditional Name: 2-[(2,5-dimethylthiobenzoyl)thio]acetic acid Formula: C11H12O2S2 MolecularWeight: 240.34178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O2S2/c1-7-3-4-8(2)9(5-7)11(14)15-6-10(12)13/h3-5H,6H2,1-2H3,(H,12,13)