(2E,5E)-7-[4-(2-hexylsulfanylethyl)thiolan-3-yl]hepta-2,5-dienoic acid

Systemtic Name: (2E,5E)-7-[4-(2-hexylsulfanylethyl)thiolan-3-yl]hepta-2,5-dienoic acid Openeye Name: (2E,5E)-7-[4-(2-hexylsulfanylethyl)tetrahydrothiophen-3-yl]hepta-2,5-dienoic acid CAS Name: (2E,5E)-7-[4-[2-(hexylthio)ethyl]-3-thiolanyl]hepta-2,5-dienoic acid IUPAC Name: (2E,5E)-7-[4-(2-hexylsulfanylethyl)thiolan-3-yl]hepta-2,5-dienoic acid Traditional Name: (2E,5E)-7-[4-[2-(hexylthio)ethyl]tetrahydrothiophen-3-yl]hepta-2,5-dienoic acid Formula: C19H32O2S2 MolecularWeight: 356.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCC1CSCC1CC=CCC=CC(=O)O

Isomeric SMILES

CCCCCCSCCC1CSCC1C/C=C/C/C=C/C(=O)O

InChI

InChI=1S/C19H32O2S2/c1-2-3-4-9-13-22-14-12-18-16-23-15-17(18)10-7-5-6-8-11-19(20)21/h5,7-8,11,17-18H,2-4,6,9-10,12-16H2,1H3,(H,20,21)/b7-5+,11-8+