bis[2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl] nonanedioate

Systemtic Name: bis[2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl] nonanedioate Openeye Name: bis[2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl] nonanedioate CAS Name: nonanedioic acid bis[2-[4-(2-chloro-4-nitrophenyl)azo-N-ethylanilino]ethyl] ester IUPAC Name: bis[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl] nonanedioate Traditional Name: azelaic acid bis[2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl] ester Formula: C41H46Cl2N8O8 MolecularWeight: 849.75874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC(=O)CCCCCCCC(=O)OCCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)N=NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CCOC(=O)CCCCCCCC(=O)OCCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)N=NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C41H46Cl2N8O8/c1-3-48(32-16-12-30(13-17-32)44-46-38-22-20-34(50(54)55)28-36(38)42)24-26-58-40(52)10-8-6-5-7-9-11-41(53)59-27-25-49(4-2)33-18-14-31(15-19-33)45-47-39-23-21-35(51(56)57)29-37(39)43/h12-23,28-29H,3-11,24-27H2,1-2H3