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
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
