| SpectraBase Spectrum ID |
BkSE9XPCnUx |
| Name |
N(1),N(10)-Di-n-octyl-N(1),N(5),N(10)-tris(2,3-dihydroxybenzoyl)-1,5,10-triazadecane |
| CAS Registry Number |
79664-34-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H63N3O9 |
| InChI |
InChI=1S/C44H63N3O9/c1-3-5-7-9-11-13-27-45(42(54)33-21-17-24-36(48)39(33)51)29-15-16-30-47(44(56)35-23-19-26-38(50)41(35)53)32-20-31-46(28-14-12-10-8-6-4-2)43(55)34-22-18-25-37(49)40(34)52/h17-19,21-26,48-53H,3-16,20,27-32H2,1-2H3 |
| InChIKey |
TXOGQVVKBMRFFL-UHFFFAOYSA-N |
| Molecular Weight |
778.000 g/mol |
| SMILES |
Oc1c(c(C(N(CCCN(C(c2c(c(ccc2)O)O)=O)CCCCCCCC)CCCCN(C(c2c(c(O)ccc2)O)=O)CCCCCCCC)=O)ccc1)O |
| SPLASH |
splash10-000i-0900000000-bd416413fcb9d30b429d |
| Source of Spectrum |
J-46-5236-0 |
| Synonyms |
N-[4-((2,3-dihydroxybenzoyl){3-[(2,3-dihydroxybenzoyl)(octyl)amino]propyl}amino)butyl]-2,3-dihydroxy-N-octylbenzamide |
| Wiley ID |
1416842 |
