| Properties | Image |
|---|
| MNX_ID | MNXM65556 |
 |
| reference | chebi:59529 |
| formula | C28H30N2O12S4 |
| global charge | 0 |
| mol weight | 714.818 |
| InChIKey | DVLPLZZIPHZCHO-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H30N2O12S4/c1-20(4-2-6-23-16-21-18-25(45(37,38)39)8-10-27(21)29(23)12-14-43(31,32)33)5-3-7-24-17-22-19-26(46(40,41)42)9-11-28(22)30(24)13-15-44(34,35)36/h2-11,18-19H,12-17H2,1H3,(H3-,31,32,33,34,35,36,37,38,39,40,41,42) |
| SMILES | CC(C=CC=C1CC2=C(C=CC(S(=O)(=O)O)=C2)N1CCS(=O)(=O)O)=CC=CC1=[N+](CCS(=O)(=O)O)C2=C(C=C(S(=O)(=O)[O-])C=C2)C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H30N2O12S4/c1-20(4-2-6-23-16-21-18-25(45(37,38)39)8-10-27(21)29(23)12-14-43(31,32)33)5-3-7-24-17-22-19-26(46(40,41)42)9-11-28(22)30(24)13-15-44(34,35)36/h2-11,18-19H,12-17H2,1H3,(H3-,31,32,33,34,35,36,37,38,39,40,41,42) |
 |
| SMILES (mnx) | [CH3:1][C:20](=[CH:4][CH:2]=[CH:6][C:23]1=[N+:29]([CH2:12][CH2:14][S:43](=[O:31])(=[O:32])[OH:33])[C:27]2=[C:21]([CH2:16]1)[CH:18]=[C:25]([S:45](=[O:37])(=[O:38])[OH:39])[CH:8]=[CH:10]2)[CH:5]=[CH:3][CH:7]=[C:24]1[CH2:17][C:22]2=[C:28]([CH:11]=[CH:9][C:26]([S:46](=[O:40])(=[O:41])[O-:42])=[CH:19]2)[N:30]1[CH2:13][CH2:15][S:44]([OH:34])(=[O:35])=[O:36] |
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