| Properties | Image |
MNX_ID | MNXM1113170 |
 |
reference | chebi:147316 |
formula | C16H8O7 |
global charge | 0 |
mol weight | 312.233 |
InChIKey | PUCOYOWRQVIAFW-UHFFFAOYSA-N |
InChI | InChI=1S/C16H8O7/c17-10-3-1-2-7-12(10)14(19)8-4-6(15(20)21)5-9(16(22)23)11(8)13(7)18/h1-5,17H,(H,20,21)(H,22,23) |
SMILES | O=C(O)C1=CC2=C(C(=O)C3=C(C2=O)C(O)=CC=C3)C(C(=O)O)=C1 |
MNX internals
InChI (mnx) | InChI=1/C16H8O7/c17-10-3-1-2-7-12(10)14(19)8-4-6(15(20)21)5-9(16(22)23)11(8)13(7)18/h1-5,17H,(H,20,21)(H,22,23) |
 |
SMILES (mnx) | [CH:1]1=[CH:2][C:7]2=[C:12]([C:10]([OH:17])=[CH:3]1)[C:14](=[O:19])[C:8]1=[C:11]([C:9]([C:16](=[O:22])[OH:23])=[CH:5][C:6]([C:15](=[O:20])[OH:21])=[CH:4]1)[C:13]2=[O:18] |
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