4-(2,3,5,6-tetramethylphenyl)sulfanylbutanoic acid

Systemtic Name: 4-(2,3,5,6-tetramethylphenyl)sulfanylbutanoic acid Openeye Name: 4-(2,3,5,6-tetramethylphenyl)sulfanylbutanoic acid CAS Name: 4-[(2,3,5,6-tetramethylphenyl)thio]butanoic acid IUPAC Name: 4-(2,3,5,6-tetramethylphenyl)sulfanylbutanoic acid Traditional Name: 4-[(2,3,5,6-tetramethylphenyl)thio]butyric acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2S/c1-9-8-10(2)12(4)14(11(9)3)17-7-5-6-13(15)16/h8H,5-7H2,1-4H3,(H,15,16)