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Reference substances

Reference substances

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General information

Inventory

EC number:
225-590-9
EC name:
2,9-bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
CAS number:
4948-15-6

No inventory information available

Reference substance information

IUPAC name:
2,9-bis(3,5-dimethylphenyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-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(3,5-dimethylphenyl)-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-

CAS information

CAS number:
4948-15-6

Molecular and structural information

Molecular formula:
C40H26N2O4
Molecular weight:
598.645
SMILES notation:
Cc1cc(C)cc(c1)N2C(=O)c3ccc4c5ccc6C(=O)N(C(=O)c7ccc(c8ccc(C2=O)c3c48)c5c67)c9cc(C)cc(C)c9
InChl:
InChI=1/C40H26N2O4/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26/h5-18H,1-4H3
Structural formula:
Chemical structure