CAS
94247-70-8 Purity
96%
94247-70-8 Purity
96%
![9,10-Anthracenedione,1-[(7-bromo-1,9-dihydro-9-oxo-2-phenylpyrazolo[5,1-b]quinazolin-3-yl)azo]-,monochloro deriv.(9ci)](https://resource.alfa-chemistry.com/structure/94247-71-9.gif)
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Diisobutylnaphthalene-1-sulfonic acid
CAS
94247-74-2
Catalog Number
ACM94247742
Category
Other Products
Molecular Weight
320.446360 [g/mol]
Molecular Formula
C18H24O3S
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Specification
Synonyms
Diisobutylnaphthalene-1-sulphonic acid, EINECS 304-244-1, CID3015459, 94247-74-2
IUPAC Name
2,3-bis(2-methylpropyl)naphthalene-1-sulfonic acid
Canonical SMILES
CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)S(=O)(=O)O
InChI Key
KBLAMUYRMZPYLS-UHFFFAOYSA-N
EC Number
304-244-1
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Diisobutylnaphthalene-1-sulfonic acid?
The molecular formula of Diisobutylnaphthalene-1-sulfonic acid is C18H24O3S.
When was Diisobutylnaphthalene-1-sulfonic acid created according to PubChem?
Diisobutylnaphthalene-1-sulfonic acid was created on August 8, 2005.
What is the computed IUPAC name of Diisobutylnaphthalene-1-sulfonic acid?
The computed IUPAC name of Diisobutylnaphthalene-1-sulfonic acid is 2,3-bis(2-methylpropyl)naphthalene-1-sulfonic acid.
What is the Canonical SMILES notation for Diisobutylnaphthalene-1-sulfonic acid?
The Canonical SMILES notation for Diisobutylnaphthalene-1-sulfonic acid is CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)S(=O)(=O)O.
What is the molecular weight of Diisobutylnaphthalene-1-sulfonic acid?
The molecular weight of Diisobutylnaphthalene-1-sulfonic acid is 320.4 g/mol.
What is the InChIKey for Diisobutylnaphthalene-1-sulfonic acid?
The InChIKey for Diisobutylnaphthalene-1-sulfonic acid is KBLAMUYRMZPYLS-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in Diisobutylnaphthalene-1-sulfonic acid?
There is 1 hydrogen bond donor count in Diisobutylnaphthalene-1-sulfonic acid.
What is the XLogP3-AA value for Diisobutylnaphthalene-1-sulfonic acid?
The XLogP3-AA value for Diisobutylnaphthalene-1-sulfonic acid is 5.1.
How many rotatable bond counts are in Diisobutylnaphthalene-1-sulfonic acid?
There are 5 rotatable bond counts in Diisobutylnaphthalene-1-sulfonic acid.
Is Diisobutylnaphthalene-1-sulfonic acid a canonicalized compound?
Yes, Diisobutylnaphthalene-1-sulfonic acid is a canonicalized compound.
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CAS
94247-73-1 Purity
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94247-73-1 Purity
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