| Properties | Image |
MNX_ID | MNXM102176 |
 |
reference | chebi:70656 |
formula | C18H16O4 |
global charge | 0 |
mol weight | 296.322 |
InChIKey | NXIOJDXYHLKSSC-UHFFFAOYSA-N |
InChI | InChI=1S/C18H16O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-9,20H,1-3H3 |
SMILES | COC1=C(C)C(O)=C(C)C2=C1C(=O)C=C(C1=CC=CC=C1)O2 |
MNX internals
InChI (mnx) | InChI=1/C18H16O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-9,20H,1-3H3 |
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SMILES (mnx) | [CH3:1][C:10]1=[C:16]([OH:20])[C:11]([CH3:2])=[C:18]2[C:15](=[C:17]1[O:21][CH3:3])[C:13](=[O:19])[CH:9]=[C:14]([C:12]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[O:22]2 |
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