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Aluminium (1-methylethyl)naphthalenesulphonate

HCID 44149072
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Basic information

CAS
85410-06-6
Standard SMILES
CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-].[Al+3]
InChIKey
WAQKQYWOJWXXCF-UHFFFAOYSA-K
Molecular formula
C39H39AlO9S3
Average molar mass
774.9 g/mol
Monoisotopic mass
774.1571597

Names & identifiers

Preferred name
Aluminium (1-methylethyl)naphthalenesulphonate
IUPAC
aluminum tris(2-propan-2-ylnaphthalene-1-sulfonate)
English name
aluminium (1-methylethyl)naphthalenesulphonate
Molecular formula
C39H39AlO9S3
Molecular weight
774.898098

Names & synonyms

Aluminium (1-methylethyl)naphthalenesulphonateEINECS 287-180-685410-06-6WAQKQYWOJWXXCF-UHFFFAOYSA-KNS00092375Aluminum (1-methylethyl)naphthalenesulfonate

Database identifiers

CAS
85410-06-6
PubChem CID
44149072
EC Number
287-180-6

Properties

Computed structural propertiesFilling in

Topological polar surface area
197 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
3
Heavy atoms
52
Formal charge
0
Complexity
342

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