(E,2R)-11,11-dimethyl-10-oxidanylidene-2-[(2R,4S)-4-oxidanylthiolan-2-yl]pentadec-8-enoic acid

Systemtic Name: (E,2R)-11,11-dimethyl-10-oxidanylidene-2-[(2R,4S)-4-oxidanylthiolan-2-yl]pentadec-8-enoic acid Openeye Name: (E,2R)-2-[(2R,4S)-4-hydroxytetrahydrothiophen-2-yl]-11,11-dimethyl-10-oxo-pentadec-8-enoic acid CAS Name: (E,2R)-2-[(2R,4S)-4-hydroxy-2-thiolanyl]-11,11-dimethyl-10-oxo-8-pentadecenoic acid IUPAC Name: (E,2R)-2-[(2R,4S)-4-hydroxythiolan-2-yl]-11,11-dimethyl-10-oxopentadec-8-enoic acid Traditional Name: (E,2R)-2-[(2R,4S)-4-hydroxytetrahydrothiophen-2-yl]-10-keto-11,11-dimethyl-pentadec-8-enoic acid Formula: C21H36O4S MolecularWeight: 384.57314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(C)(C)C(=O)/C=C/CCCCC[C@@H]([C@H]1C[C@@H](CS1)O)C(=O)O

InChI

InChI=1S/C21H36O4S/c1-4-5-13-21(2,3)19(23)12-10-8-6-7-9-11-17(20(24)25)18-14-16(22)15-26-18/h10,12,16-18,22H,4-9,11,13-15H2,1-3H3,(H,24,25)/b12-10+/t16-,17-,18+/m0/s1