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Structure

Triisohexadecyl benzene-1,2,4-tricarboxylate

CAS
93858-72-1
Catalog Number
ACM93858721
Category
Other Products
Molecular Weight
883.416180 [g/mol]
Molecular Formula
C57H102O6

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Specification

Synonyms
Triisohexadecyl benzene-1,2,4-tricarboxylate, 93858-72-1, SureCN196003, CTK5H3607, EINECS 299-306-7, AG-H-84353
IUPAC Name
tris(14-methylpentadecyl) benzene-1,2,4-tricarboxylate
InChI Key
XMMWFUJNSWPLTJ-UHFFFAOYSA-N
Exact Mass
882.76800
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of Triisohexadecyl benzene-1,2,4-tricarboxylate?

The molecular formula of Triisohexadecyl benzene-1,2,4-tricarboxylate is C57H102O6.

When was Triisohexadecyl benzene-1,2,4-tricarboxylate first created on PubChem?

Triisohexadecyl benzene-1,2,4-tricarboxylate was first created on PubChem on December 4, 2007.

What is the molecular weight of Triisohexadecyl benzene-1,2,4-tricarboxylate?

The molecular weight of Triisohexadecyl benzene-1,2,4-tricarboxylate is 883.4 g/mol.

What is the Canonical SMILES representation of Triisohexadecyl benzene-1,2,4-tricarboxylate?

The Canonical SMILES of Triisohexadecyl benzene-1,2,4-tricarboxylate is CC(C)CCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCCCCCCCC(C)C)C(=O)OCCCCCCCCCCCCCC(C)C.

What is the InChIKey of Triisohexadecyl benzene-1,2,4-tricarboxylate?

The InChIKey of Triisohexadecyl benzene-1,2,4-tricarboxylate is XMMWFUJNSWPLTJ-UHFFFAOYSA-N.

How many hydrogen bond acceptors are present in the structure of Triisohexadecyl benzene-1,2,4-tricarboxylate?

There are 6 hydrogen bond acceptors present in the structure of Triisohexadecyl benzene-1,2,4-tricarboxylate.

What is the XLogP3-AA value of Triisohexadecyl benzene-1,2,4-tricarboxylate?

The XLogP3-AA value of Triisohexadecyl benzene-1,2,4-tricarboxylate is 23.9.

How many rotatable bonds are present in the structure of Triisohexadecyl benzene-1,2,4-tricarboxylate?

There are 48 rotatable bonds present in the structure of Triisohexadecyl benzene-1,2,4-tricarboxylate.

What is the topological polar surface area of Triisohexadecyl benzene-1,2,4-tricarboxylate?

The topological polar surface area of Triisohexadecyl benzene-1,2,4-tricarboxylate is 78.9 Ų.

How many heavy atoms are present in the structure of Triisohexadecyl benzene-1,2,4-tricarboxylate?

There are 63 heavy atoms present in the structure of Triisohexadecyl benzene-1,2,4-tricarboxylate.

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