methyl 9-[2-[(2E,5E)-octa-2,5-dienyl]-1,3-dithian-2-yl]-9-oxidanyl-nonanoate

Systemtic Name: methyl 9-[2-[(2E,5E)-octa-2,5-dienyl]-1,3-dithian-2-yl]-9-oxidanyl-nonanoate Openeye Name: methyl 9-hydroxy-9-[2-[(2E,5E)-octa-2,5-dienyl]-1,3-dithian-2-yl]nonanoate CAS Name: 9-hydroxy-9-[2-[(2E,5E)-octa-2,5-dienyl]-1,3-dithian-2-yl]nonanoic acid methyl ester IUPAC Name: methyl 9-hydroxy-9-[2-[(2E,5E)-octa-2,5-dienyl]-1,3-dithian-2-yl]nonanoate Traditional Name: 9-hydroxy-9-[2-[(2E,5E)-octa-2,5-dienyl]-1,3-dithian-2-yl]pelargonic acid methyl ester Formula: C22H38O3S2 MolecularWeight: 414.66532

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC1(SCCCS1)C(CCCCCCCC(=O)OC)O

Isomeric SMILES

CC/C=C/C/C=C/CC1(SCCCS1)C(CCCCCCCC(=O)OC)O

InChI

InChI=1S/C22H38O3S2/c1-3-4-5-6-10-13-17-22(26-18-14-19-27-22)20(23)15-11-8-7-9-12-16-21(24)25-2/h4-5,10,13,20,23H,3,6-9,11-12,14-19H2,1-2H3/b5-4+,13-10+