1,3,7,9-tetrakis(piperidin-1-ylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide

Systemtic Name: 1,3,7,9-tetrakis(piperidin-1-ylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Openeye Name: 1,3,7,9-tetrakis(1-piperidylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide CAS Name: 1,3,7,9-tetrakis(1-piperidinylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide IUPAC Name: 1,3,7,9-tetrakis(piperidin-1-ylsulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Traditional Name: 1,3,7,9-tetrakis(piperidinosulfonyl)benzotriazolo[2,1-a]benzotriazol-5-ium-6-ide Formula: C32H44N8O8S4 MolecularWeight: 797.00056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C3C(=C2)N4N=C5C(=CC(=CC5=[N+]4[N-]3)S(=O)(=O)N6CCCCC6)S(=O)(=O)N7CCCCC7)S(=O)(=O)N8CCCCC8

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C3C(=C2)N4N=C5C(=CC(=CC5=[N+]4[N-]3)S(=O)(=O)N6CCCCC6)S(=O)(=O)N7CCCCC7)S(=O)(=O)N8CCCCC8

InChI

InChI=1S/C32H44N8O8S4/c41-49(42,35-13-5-1-6-14-35)25-21-27-31(29(23-25)51(45,46)37-17-9-3-10-18-37)33-40-28-22-26(50(43,44)36-15-7-2-8-16-36)24-30(32(28)34-39(27)40)52(47,48)38-19-11-4-12-20-38/h21-24H,1-20H2