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Reference substances

Reference substances

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General information

Inventory

EC number:
303-385-6
EC name:
Aluminum, benzoate C16-18-fatty acids complexes
CAS number:
94166-87-7

No inventory information available

Reference substance information

IUPAC name:
Aluminum, benzoate C16-18-fatty acids complexes
Synonyms
Names:
Aluminum, benzoate C16-18-fatty acids hydroxy complexes (CAS number: 82980-54-9)

CAS information

CAS number:
94166-87-7

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
82980-54-9

Molecular and structural information

Molecular formula:
C23H37AlO5, C25H41AlO5
Molecular weight:
>= 420.52 - <= 448.58
SMILES notation:
CCCCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)c1ccccc1
CCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)C1=CC=CC=C1
InChl:
InChI=1S/C18H36O2.C7H6O2.Al.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-7(9)6-4-2-1-3-5-6;;/h2-17H2,1H3,(H,19,20);1-5H,(H,8,9);;1H2/q;;+3;/p-3
InChI=1S/C16H32O2.C7H6O2.Al.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;8-7(9)6-4-2-1-3-5-6;;/h2-15H2,1H3,(H,17,18);1-5H,(H,8,9);;1H2/q;;+3;/p-3