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Reference substances

Reference substances

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General information

Inventory

EC number:
221-264-5
EC name:
2,9-bis[4-(phenylazo)phenyl]anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
CAS number:
3049-71-6

No inventory information available

Reference substance information

IUPAC name:
7,18-bis({4-[(E)-2-phenyldiazen-1-yl]phenyl})-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:
Anthra[2,1,9-def:6,5,10-d'e'f'] diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis[4-(phenylazo)phenyl]-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis[4-(phenylazo)phenyl]-
2,9-bis[4-(phenyldiazenyl)phenyl]isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone

CAS information

CAS number:
3049-71-6

Molecular and structural information

Molecular formula:
C48H26N6O4
Molecular weight:
750.758
SMILES notation:
O=C5c2ccc%11c1c(ccc(c12)C(=O)N5c4ccc(N=Nc3ccccc3)cc4)c6ccc%10c7c6c%11ccc7C(=O)N(c9ccc(N=Nc8ccccc8)cc9)C%10=O
InChl:
InChI=1/C48H26N6O4/c55-45-37-23-19-33-35-21-25-39-44-40(48(58)54(47(39)57)32-17-13-30(14-18-32)52-50-28-9-5-2-6-10-28)26-22-36(42(35)44)34-20-24-38(43(37)41(33)34)46(56)53(45)31-15-11-29(12-16-31)51-49-27-7-3-1-4-8-27/h1-26H
Structural formula:
Chemical structure