methyl 4-[6-(4-bromophenyl)hexylsulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[6-(4-bromophenyl)hexylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(4-bromophenyl)hexylsulfanyl]-3-oxo-butanoate CAS Name: 4-[6-(4-bromophenyl)hexylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[6-(4-bromophenyl)hexylsulfanyl]-3-oxobutanoate Traditional Name: 4-[6-(4-bromophenyl)hexylthio]-3-keto-butyric acid methyl ester Formula: C17H23BrO3S MolecularWeight: 387.33172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCCC1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCCC1=CC=C(C=C1)Br

InChI

InChI=1S/C17H23BrO3S/c1-21-17(20)12-16(19)13-22-11-5-3-2-4-6-14-7-9-15(18)10-8-14/h7-10H,2-6,11-13H2,1H3