4-[4-(3-bromanylpropylsulfanyl)phenyl]-2,3-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(3-bromanylpropylsulfanyl)phenyl]-2,3-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3-bromopropylsulfanyl)phenyl]-2,3-dimethyl-4-oxo-butanoic acid CAS Name: 4-[4-(3-bromopropylthio)phenyl]-2,3-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[4-(3-bromopropylsulfanyl)phenyl]-2,3-dimethyl-4-oxobutanoic acid Traditional Name: 4-[4-(3-bromopropylthio)phenyl]-4-keto-2,3-dimethyl-butyric acid Formula: C15H19BrO3S MolecularWeight: 359.27856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrO3S/c1-10(11(2)15(18)19)14(17)12-4-6-13(7-5-12)20-9-3-8-16/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19)