3,3-dimethylbutanethioic S-acid; ethyl 2-bromanylethanoate

Systemtic Name: 3,3-dimethylbutanethioic S-acid; ethyl 2-bromanylethanoate Openeye Name: 3,3-dimethylbutanethioic S-acid; ethyl 2-bromoacetate CAS Name: 2-bromoacetic acid ethyl ester; 3,3-dimethylbutanethioic S-acid IUPAC Name: 3,3-dimethylbutanethioic S-acid; ethyl 2-bromoacetate Traditional Name: 2-bromoacetic acid ethyl ester; 3,3-dimethylthiobutyric acid Formula: C10H19BrO3S MolecularWeight: 299.22506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CBr.CC(C)(C)CC(=O)S

Isomeric SMILES

CCOC(=O)CBr.CC(C)(C)CC(=O)S

InChI

InChI=1S/C6H12OS.C4H7BrO2/c1-6(2,3)4-5(7)8;1-2-7-4(6)3-5/h4H2,1-3H3,(H,7,8);2-3H2,1H3