(3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H21BrO3S MolecularWeight: 373.30514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C16H21BrO3S/c1-10-7-13(11(2)6-12(10)17)21-9-15(19)20-8-14(18)16(3,4)5/h6-7H,8-9H2,1-5H3