| Properties | Image |
|---|
| MNX_ID | MNXM37857 |
 |
| reference | chebi:78039 |
| formula | C72H66N8O12S4 |
| global charge | 0 |
| mol weight | 1363.632 |
| InChIKey | AKZFRMNXBLFDNN-GVHKZQBISA-K |
| InChI | InChI=1S/C44H37N8.4C7H8O3S/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/p-3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;; |
| SMILES | CC1=CC=C(S(=O)(=O)[O-])C=C1.CC1=CC=C(S(=O)(=O)[O-])C=C1.CC1=CC=C(S(=O)(=O)[O-])C=C1.CC1=CC=C(S(=O)(=O)[O-])C=C1.C[N+]1=CC=C(/C2=C3\C=CC(=N3)/C(C3=CC=[N+](C)C=C3)=C3/C=C/C(=C(\C4=CC=[N+](C)C=C4)C4=N/C(=C(/C5=CC=[N+](C)C=C5)C5=CC=C2N5)C=C4)N3)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C44H37N8.4C7H8O3S/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*1-6-2-4-7(5-3-6)11(8,9)10/h5-28H,1-4H3,(H,45,46,47,48);4*2-5H,1H3,(H,8,9,10)/q+3;;;;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;; |
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| SMILES (mnx) | [CH3:1][N+:49]1=[CH:22][CH:14]=[C:29](/[C:41]2=[C:33]3\[CH:5]=[CH:7]/[C:35](=[C:42](\[C:30]4=[CH:16][CH:24]=[N+:50]([CH3:2])[CH:23]=[CH:15]4)[C:37]4=[N:47]/[C:39](=[C:44](/[C:32]5=[CH:20][CH:28]=[N+:52]([CH3:4])[CH:27]=[CH:19]5)[C:40]5=[N:48]/[C:38](=[C:43](/[C:31]6=[CH:18][CH:26]=[N+:51]([CH3:3])[CH:25]=[CH:17]6)[C:36]6=[CH:8][CH:6]=[C:34]2[NH:46]6)[CH:10]=[CH:12]5)[CH:11]=[CH:9]4)[NH:45]3)[CH:13]=[CH:21]1.[CH3:53][C:58]1=[CH:55][CH:57]=[C:59]([S:63]([O-:60])(=[O:61])=[O:62])[CH:56]=[CH:54]1.[CH3:64][C:69]1=[CH:66][CH:68]=[C:70]([S:74]([OH:71])(=[O:72])=[O:73])[CH:67]=[CH:65]1.[CH3:75][C:80]1=[CH:77][CH:79]=[C:81]([S:85]([OH:82])(=[O:83])=[O:84])[CH:78]=[CH:76]1.[CH3:86][C:91]1=[CH:88][CH:90]=[C:92]([S:96]([OH:93])(=[O:94])=[O:95])[CH:89]=[CH:87]1 |
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