Free Chemical Databases
-
[Synonyms]
NSC25385
5468-28-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 416.5934 [g/mol] Molecular Formula C26H40O4 XLogP 9.4 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 17 Exact Mass 416.29266 MonoIsotopic Mass 416.29266 Topological Polar Surface Area 52.6 Heavy Atom Count 30 Formal Charge 0 Complexity 471 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: bis(2-ethylhexyl) 2-(phenylmethylidene)propanedioate
Canonical SMILES: CCCCC(CC)COC(=O)C(=CC1=CC=CC=C1)C(=O)OCC(CC)CCCC
InChI: InChI=1/C26H40O4/c1-5-9-14-21(7-3)19-29-25(27)24(18-23-16-12-11-13-17-
23)26(28)30-20-22(8-4)15-10-6-2/h11-13,16-18,21-22H,5-10,14-15,19-20H2,
1-4H3
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