3,5-bis[[3-azido-2,2-bis(azidomethyl)propoxy]methyl]benzoic acid

Systemtic Name: 3,5-bis[[3-azido-2,2-bis(azidomethyl)propoxy]methyl]benzoic acid Openeye Name: 3,5-bis[[3-azido-2,2-bis(azidomethyl)propoxy]methyl]benzoic acid CAS Name: 3,5-bis[[3-azido-2,2-bis(azidomethyl)propoxy]methyl]benzoic acid IUPAC Name: 3,5-bis[[3-azido-2,2-bis(azidomethyl)propoxy]methyl]benzoic acid Traditional Name: 3,5-bis[[3-azido-2,2-bis(azidomethyl)propoxy]methyl]benzoic acid Formula: C19H24N18O4 MolecularWeight: 568.51206

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1COCC(CN=[N+]=[N-])(CN=[N+]=[N-])CN=[N+]=[N-])C(=O)O)COCC(CN=[N+]=[N-])(CN=[N+]=[N-])CN=[N+]=[N-]

Isomeric SMILES

C1=C(C=C(C=C1COCC(CN=[N+]=[N-])(CN=[N+]=[N-])CN=[N+]=[N-])C(=O)O)COCC(CN=[N+]=[N-])(CN=[N+]=[N-])CN=[N+]=[N-]

InChI

InChI=1S/C19H24N18O4/c20-32-26-6-18(7-27-33-21,8-28-34-22)12-40-4-14-1-15(3-16(2-14)17(38)39)5-41-13-19(9-29-35-23,10-30-36-24)11-31-37-25/h1-3H,4-13H2,(H,38,39)