| SpectraBase Spectrum ID |
2a4mnG7jzh0 |
| Name |
(E,E,E)-1,6,11-Tris[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1005.575701049 u |
| Formula |
C57H87N3O6S3 |
| InChI |
InChI=1S/C57H87N3O6S3/c1-37(2)46-31-49(40(7)8)55(50(32-46)41(9)10)67(61,62)58-25-19-21-27-59(68(63,64)56-51(42(11)12)33-47(38(3)4)34-52(56)43(13)14)29-23-24-30-60(28-22-20-26-58)69(65,66)57-53(44(15)16)35-48(39(5)6)36-54(57)45(17)18/h19-24,31-45H,25-30H2,1-18H3/b21-19+,22-20+,24-23+ |
| InChIKey |
UDJZEDRZCHHKPO-MTUVDMBNSA-N |
| Molecular Weight |
1006.518 g/mol |
| SMILES |
C=1(S(N2C\C=C\CN(S(C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C)(=O)=O)C\C=C\CN(S(C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C)(=O)=O)C\C=C\C2)(=O)=O)C(=CC(=CC1C(C)C)C(C)C)C(C)C |
![(E,E,E)-1,6,11-Tris[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triene](/api/spectrum/2a4mnG7jzh0/structure.png?h=300&w=458 "(E,E,E)-1,6,11-Tris[(2,4,6-triisopropylphenyl)sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triene")
