4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76-Pentacosaoxanonaheptacontanedioic acid, 1,79-bis(2,5-dioxo-1-pyrrolidinyl) ester

CAS Registry Number®

2221948-96-3
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CAS Name

4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76-Pentacosaoxanonaheptacontanedioic acid, 1,79-bis(2,5-dioxo-1-pyrrolidinyl) ester

Molecular Formula

C62H112N2O33

Molecular Mass

1413.55

Cite this Page

4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76-Pentacosaoxanonaheptacontanedioic acid, 1,79-bis(2,5-dioxo-1-pyrrolidinyl) ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2221948-96-3 (retrieved 2024-08-14) (CAS RN: 2221948-96-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C62H112N2O33/c65-57-1-2-58(66)63(57)96-61(69)5-7-71-9-11-73-13-15-75-17-19-77-21-23-79-25-27-81-29-31-83-33-35-85-37-39-87-41-43-89-45-47-91-49-51-93-53-55-95-56-54-94-52-50-92-48-46-90-44-42-88-40-38-86-36-34-84-32-30-82-28-26-80-24-22-78-20-18-76-16-14-74-12-10-72-8-6-62(70)97-64-59(67)3-4-60(64)68/h1-56H2

InChIKey

InChIKey=JPTYKIPGEDAOCK-UHFFFAOYSA-N

SMILES

O(C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(ON1C(=O)CCC1=O)=O)=O)N2C(=O)CCC2=O

Canonical SMILES

O=C(ON1C(=O)CCC1=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O

Other Names for this Substance

  • 4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76-Pentacosaoxanonaheptacontanedioic acid, 1,79-bis(2,5-dioxo-1-pyrrolidinyl) ester