methyl 6-butylsulfanyl-6-(5-decylthiophen-2-yl)hexanoate

Systemtic Name: methyl 6-butylsulfanyl-6-(5-decylthiophen-2-yl)hexanoate Openeye Name: methyl 6-butylsulfanyl-6-(5-decyl-2-thienyl)hexanoate CAS Name: 6-(butylthio)-6-(5-decyl-2-thiophenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-butylsulfanyl-6-(5-decylthiophen-2-yl)hexanoate Traditional Name: 6-(butylthio)-6-(5-decyl-2-thienyl)hexanoic acid methyl ester Formula: C25H44O2S2 MolecularWeight: 440.74566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(S1)C(CCCCC(=O)OC)SCCCC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(S1)C(CCCCC(=O)OC)SCCCC

InChI

InChI=1S/C25H44O2S2/c1-4-6-8-9-10-11-12-13-16-22-19-20-24(29-22)23(28-21-7-5-2)17-14-15-18-25(26)27-3/h19-20,23H,4-18,21H2,1-3H3