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octadecyl 3-[(2E,4E)-hexa-2,4-dienoyl]sulfanylpropanoate

octadecyl 3-[(2E,4E)-hexa-2,4-dienoyl]sulfanylpropanoate

Systemtic Name:octadecyl 3-[(2E,4E)-hexa-2,4-dienoyl]sulfanylpropanoate
Openeye Name:octadecyl 3-[(2E,4E)-hexa-2,4-dienoyl]sulfanylpropanoate
CAS Name:3-[[(2E,4E)-1-oxohexa-2,4-dienyl]thio]propanoic acid octadecyl ester
IUPAC Name:octadecyl 3-[(2E,4E)-hexa-2,4-dienoyl]sulfanylpropanoate
Traditional Name:3-[[(2E,4E)-hexa-2,4-dienoyl]thio]propionic acid stearyl ester
Formula: C27H48O3S
MolecularWeight: 452.73322
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCSC(=O)C=CC=CC


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCSC(=O)/C=C/C=C/C


InChI

InChI=1S/C27H48O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-30-26(28)23-25-31-27(29)22-20-6-4-2/h4,6,20,22H,3,5,7-19,21,23-25H2,1-2H3/b6-4+,22-20+


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