(E)-10-oxidanylidene-7-[(2R,4S)-4-oxidanylthiolan-2-yl]heptadec-8-enoic acid

Systemtic Name: (E)-10-oxidanylidene-7-[(2R,4S)-4-oxidanylthiolan-2-yl]heptadec-8-enoic acid Openeye Name: (E)-7-[(2R,4S)-4-hydroxytetrahydrothiophen-2-yl]-10-oxo-heptadec-8-enoic acid CAS Name: (E)-7-[(2R,4S)-4-hydroxy-2-thiolanyl]-10-oxo-8-heptadecenoic acid IUPAC Name: (E)-7-[(2R,4S)-4-hydroxythiolan-2-yl]-10-oxoheptadec-8-enoic acid Traditional Name: (E)-7-[(2R,4S)-4-hydroxytetrahydrothiophen-2-yl]-10-keto-heptadec-8-enoic acid Formula: C21H36O4S MolecularWeight: 384.57314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C=CC(CCCCCC(=O)O)C1CC(CS1)O

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4S/c1-2-3-4-5-8-11-18(22)14-13-17(20-15-19(23)16-26-20)10-7-6-9-12-21(24)25/h13-14,17,19-20,23H,2-12,15-16H2,1H3,(H,24,25)/b14-13+/t17?,19-,20+/m0/s1