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Reference substances

Reference substances

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General information

Inventory

EC number:
226-866-1
EC name:
2,9-dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
CAS number:
5521-31-3

No inventory information available

Reference substance information

IUPAC name:
7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
Synonyms
Names:
3,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide, N,N'-dimethyl-
Anthra[2,1,9-def:6,5,10-d'e'f'] diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-
Identifier:
CAS number
5521-31-3
Identifier:
IUPAC name
2,9-dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
2,9-dimethylisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone

CAS information

CAS number:
5521-31-3

Molecular and structural information

Molecular formula:
C26H14N2O4
Molecular weight:
418.4
SMILES notation:
CN1C(=O)c2ccc3c4ccc5C(=O)N(C)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56
InChl:
InChI=1/C26H14N2O4/c1-27-23(29)15-7-3-11-13-5-9-17-22-18(26(32)28(2)25(17)31)10-6-14(20(13)22)12-4-8-16(24(27)30)21(15)19(11)12/h3-10H,1-2H3
Structural formula:
Chemical structure