| Properties | Image |
|---|
| MNX_ID | MNXM157436 |
 |
| reference | chebi:6485 |
| formula | C30H21I7N2Na2O8 |
| global charge | 0 |
| mol weight | 1471.812 |
| InChIKey | LKYWLLWWYBVUPP-XOCLESOZSA-L |
| InChI | InChI=1S/C15H11I4NO4.C15H12I3NO4.2Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);1-4,6,12,20H,5,19H2,(H,21,22);;/q;;2*+1/p-2/t2*12-;;/m00../s1 |
| SMILES | N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(=O)[O-].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(=O)[O-].[Na+].[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C15H11I4NO4.C15H12I3NO4.2Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);1-4,6,12,20H,5,19H2,(H,21,22);;/q;;2*+1/t2*12-;;/m00../s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:6]([CH2:3][C@@H:12]([C:15](=[O:22])[OH:23])[NH2:20])[CH:2]=[C:11]([I:19])[C:14]([O:24][C:7]2=[CH:4][C:8]([I:16])=[C:13]([OH:21])[C:9]([I:17])=[CH:5]2)=[C:10]1[I:18].[CH:25]1=[CH:26][C:37]([OH:44])=[C:33]([I:40])[CH:30]=[C:32]1[O:47][C:38]1=[C:34]([I:41])[CH:27]=[C:31]([CH2:29][C@@H:36]([C:39](=[O:45])[OH:46])[NH2:43])[CH:28]=[C:35]1[I:42].[Na+:48].[Na+:49] |
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