Search MNXref
 Feedback

avobenzone

PropertiesImage
MNX_IDMNXM43071 Image of MNXM43071
referencechebi:134751
formulaC20H22O3
global charge0
mol weight310.393
InChIKeyXNEFYCZVKIDDMS-UHFFFAOYSA-N
InChIInChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3
SMILESCOC1=CC=C(C(=O)CC(=O)C2=CC=C(C(C)(C)C)C=C2)C=C1
MNX internals
InChI (mnx)InChI=1/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3 Image of MNXM43071
SMILES (mnx)[CH3:1][C:20]([CH3:2])([CH3:3])[C:16]1=[CH:10][CH:6]=[C:14]([C:18]([CH2:13][C:19]([C:15]2=[CH:8][CH:12]=[C:17]([O:23][CH3:4])[CH:11]=[CH:7]2)=[O:22])=[O:21])[CH:5]=[CH:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:134751
chebi:134751
XNEFYCZVKIDDMS-UHFFFAOYSA-N 		avobenzone
butylmethoxydibenzoylmethane
photoplex

kegg.drug:D03015
keggD:D03015
XNEFYCZVKIDDMS-UHFFFAOYSA-N 		Avobenzone (USP/INN)
hmdb:HMDB0248746
XNEFYCZVKIDDMS-UHFFFAOYSA-N 		Avobenzone
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
4-Tert-butyl-4'-methoxydibenzoylmethane
BMDBM CPD
Butyl methoxydibenzoylmethane
Butyl-methoxydibenzoylmethane
Parsol 1789
Parsol-1789
avobenzone

keggD:M_D03015 		secondary/obsolete/fantasy identifier