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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
3-(7-carboxyheptyl)-6-hexylcyclohex-4-ene-1,2-dicarboxylic acid

Molecular and structural information

Molecular formula:
C22H36O6
Molecular weight:
396.518
SMILES notation:
O=C(O)C1C(C=CC(CCCCCCCC(=O)O)C1C(=O)O)CCCCCC
InChl:
InChI=1S/C22H36O6/c1-2-3-4-8-11-16-14-15-17(20(22(27)28)19(16)21(25)26)12-9-6-5-7-10-13-18(23)24/h14-17,19-20H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)
Structural formula:
Chemical structure