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Bis(2-propylheptyl) Phthalate

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For Research Use Only | Not For Clinical Use
CATAPS53306540
CAS53306-54-0
Structure
IUPAC Namebis(2-propylheptyl) benzene-1,2-dicarboxylate
Molecular Weight446.66
Molecular FormulaC28H46O4
Canonical SMILESCCCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCCC
InChIInChI=1S/C28H46O4/c1-5-9-11-17-23(15-7-3)21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-24(16-8-4)18-12-10-6-2/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
Accurate Mass446.3396
FormatNeat
SubcategoryPhthalates
TypeMetabolite
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