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

Systemtic Name: (2E,5E)-7-[4-(3-oxidanyl-4-phenyl-pentyl)thiolan-3-yl]hepta-2,5-dienoic acid Openeye Name: (2E,5E)-7-[4-(3-hydroxy-4-phenyl-pentyl)tetrahydrothiophen-3-yl]hepta-2,5-dienoic acid CAS Name: (2E,5E)-7-[4-(3-hydroxy-4-phenylpentyl)-3-thiolanyl]hepta-2,5-dienoic acid IUPAC Name: (2E,5E)-7-[4-(3-hydroxy-4-phenylpentyl)thiolan-3-yl]hepta-2,5-dienoic acid Traditional Name: (2E,5E)-7-[4-(3-hydroxy-4-phenyl-pentyl)tetrahydrothiophen-3-yl]hepta-2,5-dienoic acid Formula: C22H30O3S MolecularWeight: 374.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CCC2CSCC2CC=CCC=CC(=O)O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(CCC2CSCC2C/C=C/C/C=C/C(=O)O)O

InChI

InChI=1S/C22H30O3S/c1-17(18-9-6-4-7-10-18)21(23)14-13-20-16-26-15-19(20)11-5-2-3-8-12-22(24)25/h2,4-10,12,17,19-21,23H,3,11,13-16H2,1H3,(H,24,25)/b5-2+,12-8+