S-tert-butyl 4-bromanyl-3-oxidanylidene-butanethioate

Systemtic Name: S-tert-butyl 4-bromanyl-3-oxidanylidene-butanethioate Openeye Name: S-tert-butyl 4-bromo-3-oxo-butanethioate CAS Name: 4-bromo-3-oxobutanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 4-bromo-3-oxobutanethioate Traditional Name: 4-bromo-3-keto-butanethioic acid S-tert-butyl ester Formula: C8H13BrO2S MolecularWeight: 253.15662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC(=O)CBr

Isomeric SMILES

CC(C)(C)SC(=O)CC(=O)CBr

InChI

InChI=1S/C8H13BrO2S/c1-8(2,3)12-7(11)4-6(10)5-9/h4-5H2,1-3H3