CAS
94247-71-9 Purity
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94247-71-9 Purity
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Diisobutylnaphthalene-2-sulfonic acid
CAS
94247-75-3
Catalog Number
ACM94247753
Category
Other Products
Molecular Weight
320.446360 [g/mol]
Molecular Formula
C18H24O3S
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Specification
Synonyms
Diisobutylnaphthalene-2-sulphonic acid, EINECS 304-245-7, CID3024115, 94247-75-3
IUPAC Name
1,3-bis(2-methylpropyl)naphthalene-2-sulfonic acid
SMILES
CC(C)CC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)CC(C)C
InChI Key
UTDRFZYLWMKWGN-UHFFFAOYSA-N
Density
1.149g/cm³
EC Number
304-245-7
Exact Mass
320.14500
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Diisobutylnaphthalene-2-sulfonic acid?
The molecular formula of Diisobutylnaphthalene-2-sulfonic acid is C18H24O3S.
What are some synonyms for Diisobutylnaphthalene-2-sulfonic acid?
Some synonyms for Diisobutylnaphthalene-2-sulfonic acid are Diisobutylnaphthalene-2-sulphonic acid, 94247-75-3, and 6Z9PEP679S.
When was Diisobutylnaphthalene-2-sulfonic acid created in PubChem?
Diisobutylnaphthalene-2-sulfonic acid was created in PubChem on August 8, 2005.
What is the InChIKey of Diisobutylnaphthalene-2-sulfonic acid?
The InChIKey of Diisobutylnaphthalene-2-sulfonic acid is UTDRFZYLWMKWGN-UHFFFAOYSA-N.
Does Diisobutylnaphthalene-2-sulfonic acid have any hydrogen bond acceptor count?
Yes, Diisobutylnaphthalene-2-sulfonic acid has a hydrogen bond acceptor count of 3.
What is the topological polar surface area of Diisobutylnaphthalene-2-sulfonic acid?
The topological polar surface area of Diisobutylnaphthalene-2-sulfonic acid is 62.8 Å2.
How many rotatable bond counts does Diisobutylnaphthalene-2-sulfonic acid have?
Diisobutylnaphthalene-2-sulfonic acid has a rotatable bond count of 5.
What is the molecular weight of Diisobutylnaphthalene-2-sulfonic acid?
The molecular weight of Diisobutylnaphthalene-2-sulfonic acid is 320.4 g/mol.
What is the Canonical SMILES representation of Diisobutylnaphthalene-2-sulfonic acid?
The Canonical SMILES representation of Diisobutylnaphthalene-2-sulfonic acid is CC(C)CC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)CC(C)C.
Is Diisobutylnaphthalene-2-sulfonic acid canonicalized in PubChem?
Yes, Diisobutylnaphthalene-2-sulfonic acid is canonicalized in PubChem.
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