| Properties | Image |
|---|
| MNX_ID | MNXM155469 |
 |
| reference | keggD:D03360 |
| formula | C29H47NO5S |
| global charge | 0 |
| mol weight | 521.764 |
| InChIKey | AJZFEQIFKBZILH-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H21NO.C12H26O4S/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-12,17H,13-14H2,1-2H3;2-12H2,1H3,(H,13,14,15) |
| SMILES | CCCCCCCCCCCCOS(=O)(=O)O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C17H21NO.C12H26O4S/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-12,17H,13-14H2,1-2H3;2-12H2,1H3,(H,13,14,15) |
 |
| SMILES (mnx) | [CH3:1][N:18]([CH3:2])[CH2:13][CH2:14][O:19][CH:17]([C:15]1=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]1)[C:16]1=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]1.[CH3:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][O:35][S:36]([OH:32])(=[O:33])=[O:34] |
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