Propanedioic acid, 2,2′,2′′-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(6,1-hexanediyliminocarbonyl)]tris-, hexaethyl ester

CAS Registry Number®

93919-07-4

CAS Name

Propanedioic acid, 2,2′,2′′-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(6,1-hexanediyliminocarbonyl)]tris-, hexaethyl ester

Molecular Formula

C45H72N6O18

Molecular Mass

985.08

Cite this Page

Propanedioic acid, 2,2′,2′′-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(6,1-hexanediyliminocarbonyl)]tris-, hexaethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93919-07-4 (retrieved 2024-11-23) (CAS RN: 93919-07-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H72N6O18/c1-7-64-37(55)31(38(56)65-8-2)34(52)46-25-19-13-16-22-28-49-43(61)50(29-23-17-14-20-26-47-35(53)32(39(57)66-9-3)40(58)67-10-4)45(63)51(44(49)62)30-24-18-15-21-27-48-36(54)33(41(59)68-11-5)42(60)69-12-6/h31-33H,7-30H2,1-6H3,(H,46,52)(H,47,53)(H,48,54)

InChIKey

InChIKey=BURISEUGTRDFKM-UHFFFAOYSA-N

SMILES

C(CCCCCNC(C(C(OCC)=O)C(OCC)=O)=O)N1C(=O)N(CCCCCCNC(C(C(OCC)=O)C(OCC)=O)=O)C(=O)N(CCCCCCNC(C(C(OCC)=O)C(OCC)=O)=O)C1=O

Canonical SMILES

O=C(OCC)C(C(=O)OCC)C(=O)NCCCCCCN1C(=O)N(C(=O)N(C1=O)CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC)CCCCCCNC(=O)C(C(=O)OCC)C(=O)OCC

Other Names for this Substance

  • Propanedioic acid, 2,2′,2′′-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(6,1-hexanediyliminocarbonyl)]tris-, hexaethyl ester

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