Chemical identification
CAS identifier85507-69-3
Pubchem identifier5712222
DSSTox identifierDTXSID501009961
IUPAC name(E)-1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
StructureAloe vera, ext.

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESCc1ccc(cc1)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
InChIInChI=1S/C16H13NO3/c1-12-5-8-14(9-6-12)16(18)10-7-13-3-2-4-15(11-13)17(19)20/h2-11H,1H3/b10-7+
InChIKeySGCDUQWVNMXCOR-JXMROGBWSA-N

Chemical classification
KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassLinear 1,3-diarylpropanoids
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TICToK is a database of tattoo ink chemicals compiled from different regulatory resources. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on tattoo ink chemicals is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.