(E,2S)-2,17-bis(oxidanyl)-2-(thiolan-2-yl)heptadec-8-enoic acid

Systemtic Name: (E,2S)-2,17-bis(oxidanyl)-2-(thiolan-2-yl)heptadec-8-enoic acid Openeye Name: (E,2S)-2,17-dihydroxy-2-tetrahydrothiophen-2-yl-heptadec-8-enoic acid CAS Name: (E,2S)-2,17-dihydroxy-2-(2-thiolanyl)-8-heptadecenoic acid IUPAC Name: (E,2S)-2,17-dihydroxy-2-(thiolan-2-yl)heptadec-8-enoic acid Traditional Name: (E,2S)-2,17-dihydroxy-2-tetrahydrothiophen-2-yl-heptadec-8-enoic acid Formula: C21H38O4S MolecularWeight: 386.58902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1)C(CCCCCC=CCCCCCCCCO)(C(=O)O)O

Isomeric SMILES

C1CC(SC1)[C@](CCCCC/C=C/CCCCCCCCO)(C(=O)O)O

InChI

InChI=1S/C21H38O4S/c22-17-13-11-9-7-5-3-1-2-4-6-8-10-12-16-21(25,20(23)24)19-15-14-18-26-19/h2,4,19,22,25H,1,3,5-18H2,(H,23,24)/b4-2+/t19?,21-/m1/s1