(E)-2,2-dimethyl-4-methylsulfanyl-but-3-enoic acid

Systemtic Name: (E)-2,2-dimethyl-4-methylsulfanyl-but-3-enoic acid Openeye Name: (E)-2,2-dimethyl-4-methylsulfanyl-but-3-enoic acid CAS Name: (E)-2,2-dimethyl-4-(methylthio)-3-butenoic acid IUPAC Name: (E)-2,2-dimethyl-4-methylsulfanylbut-3-enoic acid Traditional Name: (E)-2,2-dimethyl-4-(methylthio)but-3-enoic acid Formula: C7H12O2S MolecularWeight: 160.23398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CSC)C(=O)O

Isomeric SMILES

CC(C)(/C=C/SC)C(=O)O

InChI

InChI=1S/C7H12O2S/c1-7(2,6(8)9)4-5-10-3/h4-5H,1-3H3,(H,8,9)/b5-4+