Search MNXref
 Feedback

Tetraguaiacol

PropertiesImage
MNX_IDMNXM169219 Image of MNXM169219
referencesabiorkM:20881
formulaC28H24O6
global charge0
mol weight456.494
InChIKeyBAODFBZJKZWNQU-UHFFFAOYSA-N
InChIInChI=1S/C28H24O6/c1-29-25-13-17-5-9-21(25)22-10-6-19(14-26(22)30-2)34-20-8-12-24(28(16-20)32-4)23-11-7-18(33-17)15-27(23)31-3/h5-16H,1-4H3
SMILESCOC1=CC2=CC=C1C1=CC=C(C=C1OC)OC1=CC(OC)=C(C=C1)C1=CC=C(C=C1OC)O2
MNX internals
InChI (mnx)InChI=1/C28H24O6/c1-29-25-13-17-5-9-21(25)22-10-6-19(14-26(22)30-2)34-20-8-12-24(28(16-20)32-4)23-11-7-18(33-17)15-27(23)31-3/h5-16H,1-4H3 Image of MNXM169219
SMILES (mnx)[CH3:1][O:29][C:25]1=[C:21]2[CH:9]=[CH:5][C:17](=[CH:13]1)[O:33][C:18]1=[CH:7][CH:11]=[C:23]([C:24]3=[CH:12][CH:8]=[C:20]([CH:16]=[C:28]3[O:32][CH3:4])[O:34][C:19]3=[CH:6][CH:10]=[C:22]2[C:26]([O:30][CH3:2])=[CH:14]3)[C:27]([O:31][CH3:3])=[CH:15]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

sabiork.compound:20881
sabiorkM:20881
BAODFBZJKZWNQU-UHFFFAOYSA-N
Tetraguaiacol