7,16-bis(benzotriazol-1-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane

Systemtic Name: 7,16-bis(benzotriazol-1-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane Openeye Name: 7,16-bis(benzotriazol-1-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane CAS Name: 7,16-bis(1-benzotriazolylmethyl)-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane IUPAC Name: 7,16-bis(benzotriazol-1-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane Traditional Name: 7,16-bis(benzotriazol-1-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane Formula: C26H38N8O4+2 MolecularWeight: 526.63112

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCC[NH+](CCOCCOCC[NH+]1CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1COCCOCC[NH+](CCOCCOCC[NH+]1CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H36N8O4/c1-3-7-25-23(5-1)27-29-33(25)21-31-9-13-35-17-19-37-15-11-32(12-16-38-20-18-36-14-10-31)22-34-26-8-4-2-6-24(26)28-30-34/h1-8H,9-22H2/p+2