| Properties | Image |
|---|
| MNX_ID | MNXM124962 |
 |
| reference | chebi:52029 |
| formula | C59H97ClN2O4 |
| global charge | 0 |
| mol weight | 933.888 |
| InChIKey | VBPRUFXXICVDGG-UHFFFAOYSA-N |
| InChI | InChI=1S/C59H97N2.ClO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-50-60-54-46-39-37-44-52(54)58(3,4)56(60)48-43-49-57-59(5,6)53-45-38-40-47-55(53)61(57)51-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3;/q+1;-1 |
| SMILES | CCCCCCCCCCCCCCCCCCN1C(=CC=CC2=[N+](CCCCCCCCCCCCCCCCCC)C3=C(C=CC=C3)C2(C)C)C(C)(C)C2=C1C=CC=C2.[O-][Cl+3]([O-])([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C59H97N2.ClO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-50-60-54-46-39-37-44-52(54)58(3,4)56(60)48-43-49-57-59(5,6)53-45-38-40-47-55(53)61(57)51-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3;/q+1;-1/p+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:41][CH2:50][N+:60]1=[C:56]([CH:48]=[CH:43][CH:49]=[C:57]2[C:59]([CH3:5])([CH3:6])[C:53]3=[CH:45][CH:38]=[CH:40][CH:47]=[C:55]3[NH+:61]2[CH2:51][CH2:42][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[C:58]([CH3:3])([CH3:4])[C:52]2=[CH:44][CH:37]=[CH:39][CH:46]=[C:54]21.[Cl+3:62]([O-:63])([O-:64])([O-:65])[O-:66] |
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