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octadecyl (4E,6E)-2-(sulfanylmethyl)octa-4,6-dienoate

octadecyl (4E,6E)-2-(sulfanylmethyl)octa-4,6-dienoate

Systemtic Name:octadecyl (4E,6E)-2-(sulfanylmethyl)octa-4,6-dienoate
Openeye Name:octadecyl (4E,6E)-2-(sulfanylmethyl)octa-4,6-dienoate
CAS Name:(4E,6E)-2-(mercaptomethyl)octa-4,6-dienoic acid octadecyl ester
IUPAC Name:octadecyl (4E,6E)-2-(sulfanylmethyl)octa-4,6-dienoate
Traditional Name:(4E,6E)-2-(mercaptomethyl)octa-4,6-dienoic acid stearyl ester
Formula: C27H50O2S
MolecularWeight: 438.7497
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC=CC=CC)CS


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C/C=C/C=C/C)CS


InChI

InChI=1S/C27H50O2S/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-29-27(28)26(25-30)23-21-8-6-4-2/h4,6,8,21,26,30H,3,5,7,9-20,22-25H2,1-2H3/b6-4+,21-8+


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