CAS Registry Number®
97171-71-6
CAS Name
Butanoic acid, 2,2′,2′′-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(6,1-hexanediyliminocarbonyl)]tris[3-oxo-, triethyl ester
Molecular Formula
C42H66N6O15
Molecular Mass
895.00
Other Names and Identifiers
InChI
InChI=1S/C42H66N6O15/c1-7-61-37(55)31(28(4)49)34(52)43-22-16-10-13-19-25-46-40(58)47(26-20-14-11-17-23-44-35(53)32(29(5)50)38(56)62-8-2)42(60)48(41(46)59)27-21-15-12-18-24-45-36(54)33(30(6)51)39(57)63-9-3/h31-33H,7-27H2,1-6H3,(H,43,52)(H,44,53)(H,45,54)
InChIKey
InChIKey=TVSYZWNHHXOLFE-UHFFFAOYSA-N
SMILES
C(CCCCCNC(C(C(OCC)=O)C(C)=O)=O)N1C(=O)N(CCCCCCNC(C(C(OCC)=O)C(C)=O)=O)C(=O)N(CCCCCCNC(C(C(OCC)=O)C(C)=O)=O)C1=O
Canonical SMILES
O=C(OCC)C(C(=O)NCCCCCCN1C(=O)N(C(=O)N(C1=O)CCCCCCNC(=O)C(C(=O)OCC)C(=O)C)CCCCCCNC(=O)C(C(=O)OCC)C(=O)C)C(=O)C
Other Names for this Substance
- Butanoic acid, 2,2′,2′′-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(6,1-hexanediyliminocarbonyl)]tris[3-oxo-, triethyl ester
