(5E,8E)-11,11-dimethyl-10-oxidanylidene-7-(4-oxidanylthiolan-2-yl)pentadeca-5,8-dienoic acid

Systemtic Name: (5E,8E)-11,11-dimethyl-10-oxidanylidene-7-(4-oxidanylthiolan-2-yl)pentadeca-5,8-dienoic acid Openeye Name: (5E,8E)-7-(4-hydroxytetrahydrothiophen-2-yl)-11,11-dimethyl-10-oxo-pentadeca-5,8-dienoic acid CAS Name: (5E,8E)-7-(4-hydroxy-2-thiolanyl)-11,11-dimethyl-10-oxopentadeca-5,8-dienoic acid IUPAC Name: (5E,8E)-7-(4-hydroxythiolan-2-yl)-11,11-dimethyl-10-oxopentadeca-5,8-dienoic acid Traditional Name: (5E,8E)-7-(4-hydroxytetrahydrothiophen-2-yl)-10-keto-11,11-dimethyl-pentadeca-5,8-dienoic acid Formula: C21H34O4S MolecularWeight: 382.55726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(=O)C=CC(C=CCCCC(=O)O)C1CC(CS1)O

Isomeric SMILES

CCCCC(C)(C)C(=O)/C=C/C(/C=C/CCCC(=O)O)C1CC(CS1)O

InChI

InChI=1S/C21H34O4S/c1-4-5-13-21(2,3)19(23)12-11-16(18-14-17(22)15-26-18)9-7-6-8-10-20(24)25/h7,9,11-12,16-18,22H,4-6,8,10,13-15H2,1-3H3,(H,24,25)/b9-7+,12-11+