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Reference substances

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IUPAC name:
1,2-Benzenedicarboxylic acid, benzyl isononyl alkyl esters

Inventory

CAS number:
68515-40-2
Synonyms
Names:
1, 2-Benzenedicarboxylic acid, benzyl, isomeric C9, n-C7, n-C8 alkyl ester
Identifier:
IUPAC name
1, 2-Benzenedicarboxylic acid, benzyl, isomeric C9, n-C7, n-C8 alkyl ester
Identifier:
other: Molecular formula
C23 H28 O4
Identifier:
other: SMILES notation
CCCCCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2
Identifier:
other: InChl
InChI=1/C23H28O4/c1-2-3-4-5-6-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-19-13-8-7-9-14-19/h7-11,13-16H,2-6,12,17-18H2,1H3

Molecular and structural information

Molecular formula:
C24H30O4
Molecular weight:
382.5
SMILES notation:
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2
InChl:
InChI=1S/C24H30O4/c1-2-3-4-5-6-7-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-20-14-9-8-10-15-20/h8-12,14-17H,2-7,13,18-19H2,1H3
Structural formula:
Chemical structure

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