tert-butyl 8-[2-[(1E,3E)-nona-1,3-dienyl]-1,3-dithian-2-yl]octanoate

Systemtic Name: tert-butyl 8-[2-[(1E,3E)-nona-1,3-dienyl]-1,3-dithian-2-yl]octanoate Openeye Name: tert-butyl 8-[2-[(1E,3E)-nona-1,3-dienyl]-1,3-dithian-2-yl]octanoate CAS Name: 8-[2-[(1E,3E)-nona-1,3-dienyl]-1,3-dithian-2-yl]octanoic acid tert-butyl ester IUPAC Name: tert-butyl 8-[2-[(1E,3E)-nona-1,3-dienyl]-1,3-dithian-2-yl]octanoate Traditional Name: 8-[2-[(1E,3E)-nona-1,3-dienyl]-1,3-dithian-2-yl]caprylic acid tert-butyl ester Formula: C25H44O2S2 MolecularWeight: 440.74566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C=C/C=C/C1(SCCCS1)CCCCCCCC(=O)OC(C)(C)C

InChI

InChI=1S/C25H44O2S2/c1-5-6-7-8-9-12-15-19-25(28-21-17-22-29-25)20-16-13-10-11-14-18-23(26)27-24(2,3)4/h9,12,15,19H,5-8,10-11,13-14,16-18,20-22H2,1-4H3/b12-9+,19-15+