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Reference substances

Reference substances

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General information

Inventory

EC number:
252-552-9
EC name:
Trinonyl benzene-1,2,4-tricarboxylate
CAS number:
35415-27-1

No inventory information available

Reference substance information

IUPAC name:
trinonyl benzene-1,2,4-tricarboxylate
Synonyms
Names:
Identifier:
IUPAC name
Trinonyl benzene-1,2,4-tricarboxylate
Identifier:
ChemSpider ID
CSID: 451685
Identifier:
common name
trinonyl 1,2,4-benzenetricarboxylate
Identifier:
common name
trinonyl trimellitate
Identifier:
PubChem
CID: 517694
Identifier:
other: InChl
InChI=1S/C36H60O6/c1-4-7-10-13-16-19-22-27-40-34(37)31-25-26-32(35(38)41-28-23-20-17-14-11-8-5-2)33(30-31)36(39)42-29-24-21-18-15-12-9-6-3/h25-26,30H,4-24,27-29H2,1-3H3
Identifier:
other: SMILES notation
O=C(C1=C(C(OCCCCCCCCC)=O)C=CC(C(OCCCCCCCCC)=O)=C1)OCCCCCCCCC

CAS information

CAS number:
35415-27-1

Related substances

Identifiers of related substances
Identifier:
other: EC List number
Identity:
941-303-6

Molecular and structural information

Molecular formula:
C36H60O6
Molecular weight:
588.858
SMILES notation:
CCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCC)c(c1)C(=O)OCCCCCCCCC
InChl:
InChI=1/C36H60O6/c1-4-7-10-13-16-19-22-27-40-34(37)31-25-26-32(35(38)41-28-23-20-17-14-11-8-5-2)33(30-31)36(39)42-29-24-21-18-15-12-9-6-3/h25-26,30H,4-24,27-29H2,1-3H3
Structural formula:
Chemical structure