CAS
942487-63-0 Purity
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942487-63-0 Purity
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Specification
PubChem CID 6433036
C16H28O4
Diisohexyl maleate, EINECS 304-352-9, 94248-78-9, SCHEMBL6903301
The molecular weight is 284.39 g/mol.
The IUPAC name is bis(4-methylpentyl) (Z)-but-2-enedioate.
The InChI is InChI=1S/C16H28O4/c1-13(2)7-5-11-19-15(17)9-10-16(18)20-12-6-8-14(3)4/h9-10,13-14H,5-8,11-12H2,1-4H3/b10-9-.
The InChIKey is AUUKMDXZUNSGGI-KTKRTIGZSA-N.
The canonical SMILES is CC(C)CCCOC(=O)C=CC(=O)OCCCC(C)C.
The CAS number is 94248-78-9.
Yes, Diisohexyl maleate is canonicalized.