Synonyms
RTC-070646; RP13462; cid_640180; AK-77431; AJ-26416; Dibenzalacetone; AKOS 213-33; CHM0032447; trans,trans-1,5-Diphenylpenta-1,4-dien-3-one; CHEMBL17201;
IUPAC Name
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;
Molecular Weight
234.298g/mol
Molecular Formula
C17H14O;
Canonical SMILES
C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2;
InChI
InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+;
InChI Key
WMKGGPCROCCUDY-PHEQNACWSA-N;
Complexity
272
Covalently-Bonded Unit Count
1
Defined Bond Stereocenter Count
2
EC Number
208-697-5
Exact Mass
234.104g/mol
H-Bond Acceptor
1
Heavy Atom Count
18
Monoisotopic Mass
234.104g/mol
NSC Number
623642
Rotatable Bond Count
4
Topological Polar Surface Area
17.1A^2
UNII
9QXO7BCY9L
