2-(2,3,4,5,6-pentamethylphenyl)ethanethioic S-acid

Systemtic Name: 2-(2,3,4,5,6-pentamethylphenyl)ethanethioic S-acid Openeye Name: 2-(2,3,4,5,6-pentamethylphenyl)ethanethioic S-acid CAS Name: 2-(2,3,4,5,6-pentamethylphenyl)ethanethioic S-acid IUPAC Name: 2-(2,3,4,5,6-pentamethylphenyl)ethanethioic S-acid Traditional Name: 2-(2,3,4,5,6-pentamethylphenyl)thioacetic acid Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CC(=O)S)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CC(=O)S)C)C

InChI

InChI=1S/C13H18OS/c1-7-8(2)10(4)12(6-13(14)15)11(5)9(7)3/h6H2,1-5H3,(H,14,15)