2-[(3,4-dimethylphenyl)methyl]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(3,4-dimethylphenyl)methyl]-3-sulfanyl-propanoic acid Openeye Name: 2-[(3,4-dimethylphenyl)methyl]-3-sulfanyl-propanoic acid CAS Name: 2-[(3,4-dimethylphenyl)methyl]-3-mercaptopropanoic acid IUPAC Name: 2-[(3,4-dimethylphenyl)methyl]-3-sulfanylpropanoic acid Traditional Name: 2-(3,4-dimethylbenzyl)-3-mercapto-propionic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(CS)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(CS)C(=O)O)C

InChI

InChI=1S/C12H16O2S/c1-8-3-4-10(5-9(8)2)6-11(7-15)12(13)14/h3-5,11,15H,6-7H2,1-2H3,(H,13,14)