methyl 4-[4-(3-bromanylpropylsulfanyl)phenyl]-3,3-dimethyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-(3-bromanylpropylsulfanyl)phenyl]-3,3-dimethyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(3-bromopropylsulfanyl)phenyl]-3,3-dimethyl-4-oxo-butanoate CAS Name: 4-[4-(3-bromopropylthio)phenyl]-3,3-dimethyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(3-bromopropylsulfanyl)phenyl]-3,3-dimethyl-4-oxobutanoate Traditional Name: 4-[4-(3-bromopropylthio)phenyl]-4-keto-3,3-dimethyl-butyric acid methyl ester Formula: C16H21BrO3S MolecularWeight: 373.30514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)OC)C(=O)C1=CC=C(C=C1)SCCCBr

Isomeric SMILES

CC(C)(CC(=O)OC)C(=O)C1=CC=C(C=C1)SCCCBr

InChI

InChI=1S/C16H21BrO3S/c1-16(2,11-14(18)20-3)15(19)12-5-7-13(8-6-12)21-10-4-9-17/h5-8H,4,9-11H2,1-3H3