3,5-bis(4-chloranyl-3-nitro-phenyl)-4-hexadecyl-1,2,4-triazole

Systemtic Name: 3,5-bis(4-chloranyl-3-nitro-phenyl)-4-hexadecyl-1,2,4-triazole Openeye Name: 3,5-bis(4-chloro-3-nitro-phenyl)-4-hexadecyl-1,2,4-triazole CAS Name: 3,5-bis(4-chloro-3-nitrophenyl)-4-hexadecyl-1,2,4-triazole IUPAC Name: 3,5-bis(4-chloro-3-nitrophenyl)-4-hexadecyl-1,2,4-triazole Traditional Name: 4-cetyl-3,5-bis(4-chloro-3-nitro-phenyl)-1,2,4-triazole Formula: C30H39Cl2N5O4 MolecularWeight: 604.56776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=NN=C1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=NN=C1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C30H39Cl2N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-35-29(23-16-18-25(31)27(21-23)36(38)39)33-34-30(35)24-17-19-26(32)28(22-24)37(40)41/h16-19,21-22H,2-15,20H2,1H3