5-(2,2-dimethylpropanoylsulfanyl)pent-3-ynoic acid

Systemtic Name: 5-(2,2-dimethylpropanoylsulfanyl)pent-3-ynoic acid Openeye Name: 5-(2,2-dimethylpropanoylsulfanyl)pent-3-ynoic acid CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)thio]-3-pentynoic acid IUPAC Name: 5-(2,2-dimethylpropanoylsulfanyl)pent-3-ynoic acid Traditional Name: 5-(pivaloylthio)pent-3-ynoic acid Formula: C10H14O3S MolecularWeight: 214.28136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SCC#CCC(=O)O

Isomeric SMILES

CC(C)(C)C(=O)SCC#CCC(=O)O

InChI

InChI=1S/C10H14O3S/c1-10(2,3)9(13)14-7-5-4-6-8(11)12/h6-7H2,1-3H3,(H,11,12)