CAS 19333-63-2 TNBT Diformazan, AR - Materials / Alfa Chemistry

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TNBT Diformazan, AR

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Catalog Number

ACM19333632-1

Product Name

TNBT Diformazan, AR

Structure

CAS

19333-63-2

Category

Other Glass and Ceramic Materials

IUPAC Name

N-[2-methoxy-4-[3-methoxy-4-[[(Z)-N-(4-nitroanilino)-C-(4-nitrophenyl)carbonimidoyl]diazenyl]phenyl]phenyl]imino-4-nitro-N'-(4-nitroanilino)benzenecarboximidamide

Molecular Weight

838.7g/mol

Molecular Formula

C40H30N12O10

Canonical SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC(=NNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])OC)N=NC(=NNC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C40H30N12O10/c1-61-37-23-27(7-21-35(37)43-47-39(25-3-13-31(14-4-25)49(53)54)45-41-29-9-17-33(18-10-29)51(57)58)28-8-22-36(38(24-28)62-2)44-48-40(26-5-15-32(16-6-26)50(55)56)46-42-30-11-19-34(20-12-30)52(59)60/h3-24,41-42H,1-2H3/b45-39-,46-40-,47-43?,48-44?

InChI Key

SDKSRZQMARNUEW-DBPDIXJWSA-N

Complexity

1500

Covalently-Bonded Unit Count

Exact Mass

838.220785g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

838.220785g/mol

Rotatable Bond Count