| Properties | Image |
|---|
| MNX_ID | MNXM47933 |
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| reference | chebi:38045 |
| formula | C35H40N3O10S2 |
| global charge | -1 |
| mol weight | 726.85 |
| InChIKey | SOVMUUCAZOFIQP-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H41N3O10S2/c1-6-36-27-16-14-23(49(42,43)44)21-25(27)34(2,3)29(36)11-10-12-30-35(4,5)26-22-24(50(45,46)47)15-17-28(26)37(30)20-9-7-8-13-33(41)48-38-31(39)18-19-32(38)40/h10-12,14-17,21-22H,6-9,13,18-20H2,1-5H3,(H-,42,43,44,45,46,47)/p-1 |
| SMILES | CCN1C2=CC=C(S(=O)(=O)[O-])C=C2C(C)(C)C1=CC=CC1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)C2=C(C=C(S(=O)(=O)[O-])C=C2)C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C35H41N3O10S2/c1-6-36-27-16-14-23(49(42,43)44)21-25(27)34(2,3)29(36)11-10-12-30-35(4,5)26-22-24(50(45,46)47)15-17-28(26)37(30)20-9-7-8-13-33(41)48-38-31(39)18-19-32(38)40/h10-12,14-17,21-22H,6-9,13,18-20H2,1-5H3,(H-,42,43,44,45,46,47) |
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| SMILES (mnx) | [CH3:1][CH2:6][N+:36]1=[C:29]([CH:11]=[CH:10][CH:12]=[C:30]2[C:35]([CH3:4])([CH3:5])[C:26]3=[C:28]([CH:17]=[CH:15][C:24]([S:50]([O-:45])(=[O:46])=[O:47])=[CH:22]3)[N:37]2[CH2:20][CH2:9][CH2:7][CH2:8][CH2:13][C:33](=[O:41])[O:48][N:38]2[C:31](=[O:39])[CH2:18][CH2:19][C:32]2=[O:40])[C:34]([CH3:2])([CH3:3])[C:25]2=[C:27]1[CH:16]=[CH:14][C:23]([S:49](=[O:42])([OH:43])=[O:44])=[CH:21]2 |
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