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The molecular formula is C12H20O4.
The synonyms for Isooctyl hydrogen 2-butenedioate are EINECS 299-322-4 and 93858-88-9.
The molecular weight is 228.28 g/mol.
The IUPAC name is (E)-4-(6-methylheptoxy)-4-oxobut-2-enoic acid.
The InChI is InChI=1S/C12H20O4/c1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7+.
The InChIKey is FDNBQVCBHKEDOJ-BQYQJAHWSA-N.
The canonical SMILES is CC(C)CCCCCOC(=O)C=CC(=O)O.
The isomeric SMILES is CC(C)CCCCCOC(=O)/C=C/C(=O)O.
The CAS number is 93858-88-9.
Yes, Isooctyl hydrogen 2-butenedioate is a canonicalized compound.
93858-84-5
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93858-90-3
93858-92-5
93858-94-7
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