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

Systemtic Name: (2E,5E)-7-[4-(3-oxidanyloctyl)thiolan-3-yl]hepta-2,5-dienoic acid Openeye Name: (2E,5E)-7-[4-(3-hydroxyoctyl)tetrahydrothiophen-3-yl]hepta-2,5-dienoic acid CAS Name: (2E,5E)-7-[4-(3-hydroxyoctyl)-3-thiolanyl]hepta-2,5-dienoic acid IUPAC Name: (2E,5E)-7-[4-(3-hydroxyoctyl)thiolan-3-yl]hepta-2,5-dienoic acid Traditional Name: (2E,5E)-7-[4-(3-hydroxyoctyl)tetrahydrothiophen-3-yl]hepta-2,5-dienoic acid Formula: C19H32O3S MolecularWeight: 340.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1CSCC1CC=CCC=CC(=O)O)O

Isomeric SMILES

CCCCCC(CCC1CSCC1C/C=C/C/C=C/C(=O)O)O

InChI

InChI=1S/C19H32O3S/c1-2-3-6-10-18(20)13-12-17-15-23-14-16(17)9-7-4-5-8-11-19(21)22/h4,7-8,11,16-18,20H,2-3,5-6,9-10,12-15H2,1H3,(H,21,22)/b7-4+,11-8+