| Properties | Image |
|---|
| MNX_ID | MNXM1176968 |
 |
| reference | envipathM:...30389a7f3b18 |
| formula | C22H32O4 |
| global charge | -2 |
| mol weight | 360.494 |
| InChIKey | PMIBJKCXLFGBOX-UHFFFAOYSA-L |
| InChI | InChI=1S/C22H34O4/c1-18(17-20(21(23)24)22(25)26)13-9-6-4-2-3-5-7-10-14-19-15-11-8-12-16-19/h8,11-12,15-16,18,20H,2-7,9-10,13-14,17H2,1H3,(H,23,24)(H,25,26)/p-2 |
| SMILES | CC(CCCCCCCCCCC1=CC=CC=C1)CC(C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C22H34O4/c1-18(17-20(21(23)24)22(25)26)13-9-6-4-2-3-5-7-10-14-19-15-11-8-12-16-19/h8,11-12,15-16,18,20H,2-7,9-10,13-14,17H2,1H3,(H,23,24)(H,25,26)/t18? |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH2:13][CH2:9][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:10][CH2:14][C:19]1=[CH:15][CH:11]=[CH:8][CH:12]=[CH:16]1)[CH2:17][CH:20]([C:21](=[O:23])[OH:24])[C:22](=[O:25])[OH:26] |
|