methyl 6-[4-(3-bromanylpropylsulfanyl)phenyl]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[4-(3-bromanylpropylsulfanyl)phenyl]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[4-(3-bromopropylsulfanyl)phenyl]-6-oxo-hexanoate CAS Name: 6-[4-(3-bromopropylthio)phenyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[4-(3-bromopropylsulfanyl)phenyl]-6-oxohexanoate Traditional Name: 6-[4-(3-bromopropylthio)phenyl]-6-keto-hexanoic acid methyl ester Formula: C16H21BrO3S MolecularWeight: 373.30514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrO3S/c1-20-16(19)6-3-2-5-15(18)13-7-9-14(10-8-13)21-12-4-11-17/h7-10H,2-6,11-12H2,1H3