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Reference substances

Reference substances

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General information

Inventory

EC number:
259-224-4
EC name:
Benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:1)
CAS number:
54553-90-1

No inventory information available

Reference substance information

IUPAC name:
2-phenyl-4,5-dihydro-1H-imidazole; benzene-1,2,4,5-tetracarboxylic acid
Synonyms
Names:
1,2,4,5-Benzenetetracarboxylic acid, compd. with 4,5-dihydro-2-phenyl-1H-imidazole (1:1)
PPI
Identifier:
CAS number
54553-90-1
Identifier:
IUPAC name
Benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:1)
Identifier:
IUPAC name
benzene-1,2,4,5-tetracarboxylic acid - 2-phenyl-4,5-dihydro-1H-imidazole (1:1)
Identifier:
other: Molecular formula
C10H6O8.C9H10N2
Identifier:
other: SMILES notation
OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O.C2CN=C(N2)c3ccccc3
benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-2-phenyl-1H-imidazole (1:1)

CAS information

CAS number:
54553-90-1

Molecular and structural information

Molecular formula:
C19H16N2O8
Molecular weight:
400.35
SMILES notation:
c1(C(=O)O)c(C(=O)O)cc(C(=O)O)c(C(=O)O)c1.N1CCN=C1c2ccccc2
InChl:
InChI=1/C10H6O8.C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);1-5H,6-7H2,(H,10,11)
Structural formula:
Chemical structure