4-[2-(2,2-dimethylbutanoyloxy)ethylsulfanyl]but-3-ynoic acid

Systemtic Name: 4-[2-(2,2-dimethylbutanoyloxy)ethylsulfanyl]but-3-ynoic acid Openeye Name: 4-[2-(2,2-dimethylbutanoyloxy)ethylsulfanyl]but-3-ynoic acid CAS Name: 4-[2-(2,2-dimethyl-1-oxobutoxy)ethylthio]-3-butynoic acid IUPAC Name: 4-[2-(2,2-dimethylbutanoyloxy)ethylsulfanyl]but-3-ynoic acid Traditional Name: 4-[2-(2,2-dimethylbutanoyloxy)ethylthio]but-3-ynoic acid Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCSC#CCC(=O)O

Isomeric SMILES

CCC(C)(C)C(=O)OCCSC#CCC(=O)O

InChI

InChI=1S/C12H18O4S/c1-4-12(2,3)11(15)16-7-9-17-8-5-6-10(13)14/h4,6-7,9H2,1-3H3,(H,13,14)