methyl 4-[4-[5-(3-bromanylpropylsulfanyl)-2-(4-methoxy-4-oxidanylidene-butyl)phenyl]sulfanylphenyl]-4-oxidanyl-butanoate

Systemtic Name: methyl 4-[4-[5-(3-bromanylpropylsulfanyl)-2-(4-methoxy-4-oxidanylidene-butyl)phenyl]sulfanylphenyl]-4-oxidanyl-butanoate Openeye Name: methyl 4-[4-[5-(3-bromopropylsulfanyl)-2-(4-methoxy-4-oxo-butyl)phenyl]sulfanylphenyl]-4-hydroxy-butanoate CAS Name: 4-[4-[[5-(3-bromopropylthio)-2-(4-methoxy-4-oxobutyl)phenyl]thio]phenyl]-4-hydroxybutanoic acid methyl ester IUPAC Name: methyl 4-[4-[5-(3-bromopropylsulfanyl)-2-(4-methoxy-4-oxobutyl)phenyl]sulfanylphenyl]-4-hydroxybutanoate Traditional Name: 4-[4-[[5-(3-bromopropylthio)-2-(4-keto-4-methoxy-butyl)phenyl]thio]phenyl]-4-hydroxy-butyric acid methyl ester Formula: C25H31BrO5S2 MolecularWeight: 555.54464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=C(C=C(C=C1)SCCCBr)SC2=CC=C(C=C2)C(CCC(=O)OC)O

Isomeric SMILES

COC(=O)CCCC1=C(C=C(C=C1)SCCCBr)SC2=CC=C(C=C2)C(CCC(=O)OC)O

InChI

InChI=1S/C25H31BrO5S2/c1-30-24(28)6-3-5-19-9-12-21(32-16-4-15-26)17-23(19)33-20-10-7-18(8-11-20)22(27)13-14-25(29)31-2/h7-12,17,22,27H,3-6,13-16H2,1-2H3