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Reference substances

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IUPAC name:
methyl 4-(octadecylcarbamoyl)benzoate

Inventory

EC number:
230-836-3
EC name:
Methyl N-octadecylterephthalamate
CAS number:
7333-86-0
CAS number:
7333-86-0
Synonyms
Names:
Benzoic acid, 4- (octadecylamino)carbonyl -, methyl ester
Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)C(=O)OC

Molecular and structural information

Molecular formula:
C27H45NO3
Molecular weight:
431.651
SMILES notation:
CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)OC
InChl:
InChI=1/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-26(29)24-19-21-25(22-20-24)27(30)31-2/h19-22H,3-18,23H2,1-2H3,(H,28,29)
Structural formula:
Chemical structure

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