3,4,5-tris[(3S)-3,7-dimethyloctoxy]-N-(3,5-dinitrophenyl)benzamide

Systemtic Name: 3,4,5-tris[(3S)-3,7-dimethyloctoxy]-N-(3,5-dinitrophenyl)benzamide Openeye Name: 3,4,5-tris[(3S)-3,7-dimethyloctoxy]-N-(3,5-dinitrophenyl)benzamide CAS Name: 3,4,5-tris[(3S)-3,7-dimethyloctoxy]-N-(3,5-dinitrophenyl)benzamide IUPAC Name: 3,4,5-tris[(3S)-3,7-dimethyloctoxy]-N-(3,5-dinitrophenyl)benzamide Traditional Name: 3,4,5-tris[(3S)-3,7-dimethyloctoxy]-N-(3,5-dinitrophenyl)benzamide Formula: C43H69N3O8 MolecularWeight: 756.02326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCOC1=CC(=CC(=C1OCCC(C)CCCC(C)C)OCCC(C)CCCC(C)C)C(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CCCC(C)C)CCOC1=CC(=CC(=C1OCC[C@@H](C)CCCC(C)C)OCC[C@@H](C)CCCC(C)C)C(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C43H69N3O8/c1-30(2)13-10-16-33(7)19-22-52-40-25-36(43(47)44-37-27-38(45(48)49)29-39(28-37)46(50)51)26-41(53-23-20-34(8)17-11-14-31(3)4)42(40)54-24-21-35(9)18-12-15-32(5)6/h25-35H,10-24H2,1-9H3,(H,44,47)/t33-,34-,35-/m0/s1