6-(5-decylthiophen-2-yl)-6-phenylsulfanyl-hexanoic acid

Systemtic Name: 6-(5-decylthiophen-2-yl)-6-phenylsulfanyl-hexanoic acid Openeye Name: 6-(5-decyl-2-thienyl)-6-phenylsulfanyl-hexanoic acid CAS Name: 6-(5-decyl-2-thiophenyl)-6-(phenylthio)hexanoic acid IUPAC Name: 6-(5-decylthiophen-2-yl)-6-phenylsulfanylhexanoic acid Traditional Name: 6-(5-decyl-2-thienyl)-6-(phenylthio)hexanoic acid Formula: C26H38O2S2 MolecularWeight: 446.70872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38O2S2/c1-2-3-4-5-6-7-8-10-17-23-20-21-25(30-23)24(18-13-14-19-26(27)28)29-22-15-11-9-12-16-22/h9,11-12,15-16,20-21,24H,2-8,10,13-14,17-19H2,1H3,(H,27,28)