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O1-docosyl O12-(3-fluoranyloctyl) 2-azanyldodecanedioate

Systemtic Name:	O1-docosyl O12-(3-fluoranyloctyl) 2-azanyldodecanedioate
Openeye Name:	O1-docosyl O12-(3-fluorooctyl) 2-aminododecanedioate
CAS Name:	2-aminododecanedioic acid O1-docosyl ester O12-(3-fluorooctyl) ester
IUPAC Name:	1-O-docosyl 12-O-(3-fluorooctyl) 2-aminododecanedioate
Traditional Name:	2-aminododecanedioic acid O1-behenyl ester O12-(3-fluorooctyl) ester
Formula:	C₄₂H₈₂FNO₄
MolecularWeight:	684.103183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCCCCCC(=O)OCCC(CCCCC)F)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCCCCCC(=O)OCCC(CCCCC)F)N

InChI

InChI=1S/C42H82FNO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-32-37-48-42(46)40(44)34-30-26-23-22-24-27-31-35-41(45)47-38-36-39(43)33-29-6-4-2/h39-40H,3-38,44H2,1-2H3

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