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

Systemtic Name: methyl 6-(5-decylthiophen-2-yl)-6-phenylsulfanyl-hexanoate Openeye Name: methyl 6-(5-decyl-2-thienyl)-6-phenylsulfanyl-hexanoate CAS Name: 6-(5-decyl-2-thiophenyl)-6-(phenylthio)hexanoic acid methyl ester IUPAC Name: methyl 6-(5-decylthiophen-2-yl)-6-phenylsulfanylhexanoate Traditional Name: 6-(5-decyl-2-thienyl)-6-(phenylthio)hexanoic acid methyl ester Formula: C27H40O2S2 MolecularWeight: 460.7353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(S1)C(CCCCC(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC1=CC=C(S1)C(CCCCC(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C27H40O2S2/c1-3-4-5-6-7-8-9-11-18-24-21-22-26(31-24)25(19-14-15-20-27(28)29-2)30-23-16-12-10-13-17-23/h10,12-13,16-17,21-22,25H,3-9,11,14-15,18-20H2,1-2H3