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octadecyl 3-[(E)-but-2-enoyl]sulfanylpropanoate

octadecyl 3-[(E)-but-2-enoyl]sulfanylpropanoate

Systemtic Name:octadecyl 3-[(E)-but-2-enoyl]sulfanylpropanoate
Openeye Name:octadecyl 3-[(E)-but-2-enoyl]sulfanylpropanoate
CAS Name:3-[[(E)-1-oxobut-2-enyl]thio]propanoic acid octadecyl ester
IUPAC Name:octadecyl 3-[(E)-but-2-enoyl]sulfanylpropanoate
Traditional Name:3-[[(E)-but-2-enoyl]thio]propionic acid stearyl ester
Formula: C25H46O3S
MolecularWeight: 426.69594
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H46O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-24(26)21-23-29-25(27)20-4-2/h4,20H,3,5-19,21-23H2,1-2H3/b20-4+


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