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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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