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Reference substances

Reference substances

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General information

Inventory

EC number:
201-344-6
EC name:
Perylene-3,4:9,10-tetracarboxydiimide
CAS number:
81-33-4

No inventory information available

Reference substance information

IUPAC name:
7,18-diazaheptacyclo[14.6.2.2^{2,5}.0^{3,12}.0^{4,9}.0^{13,23}.0^{20,24}]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
Synonyms
Names:
3,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide
Anthra[2,1,9-def:6,5,10-d'e'f'] diisoquinoline-1,3,8,10(2H,9H)-tetrone
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
Identifier:
CAS number
81-33-4
isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone

CAS information

CAS number:
81-33-4

Molecular and structural information

Molecular formula:
C24H10N2O4
Molecular weight:
390.347
SMILES notation:
O=C1NC(=O)c2ccc3c4ccc5C(=O)NC(=O)c6ccc(c7ccc1c2c37)c4c56
InChl:
InChI=1/C24H10N2O4/c27-21-13-5-1-9-10-2-6-15-20-16(24(30)26-23(15)29)8-4-12(18(10)20)11-3-7-14(22(28)25-21)19(13)17(9)11/h1-8H,(H,25,27,28)(H,26,29,30)
Structural formula:
Chemical structure