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O1-ethylsulfanyl O3-methyl 2-octadec-5-ynyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanedioate

O1-ethylsulfanyl O3-methyl 2-octadec-5-ynyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanedioate

Systemtic Name:O1-ethylsulfanyl O3-methyl 2-octadec-5-ynyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanedioate
Openeye Name:O1-ethylsulfanyl O3-methyl 2-octadec-5-ynyl-2-[(2,2,2-trifluoroacetyl)amino]propanedioate
CAS Name:2-octadec-5-ynyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propanedioic acid O1-(ethylthio) ester O3-methyl ester
IUPAC Name:1-O-ethylsulfanyl 3-O-methyl 2-octadec-5-ynyl-2-[(2,2,2-trifluoroacetyl)amino]propanedioate
Traditional Name:2-octadec-5-ynyl-2-[(2,2,2-trifluoroacetyl)amino]malonic acid O1-(ethylthio) ester O3-methyl ester
Formula: C26H42F3NO5S
MolecularWeight: 537.67559
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CCCCCC(C(=O)OC)(C(=O)OSCC)NC(=O)C(F)(F)F


Isomeric SMILES

CCCCCCCCCCCCC#CCCCCC(C(=O)OC)(C(=O)OSCC)NC(=O)C(F)(F)F


InChI

InChI=1S/C26H42F3NO5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(23(32)34-3,24(33)35-36-5-2)30-22(31)26(27,28)29/h4-15,18-21H2,1-3H3,(H,30,31)


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