5-docosylsulfonyl-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-docosylsulfonyl-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-docosylsulfonyl-1-phenyl-tetrazole CAS Name: 5-docosylsulfonyl-1-phenyltetrazole IUPAC Name: 5-docosylsulfonyl-1-phenyltetrazole Traditional Name: 5-behenylsulfonyl-1-phenyl-tetrazole Formula: C29H50N4O2S MolecularWeight: 518.7979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C29H50N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-36(34,35)29-30-31-32-33(29)28-25-22-21-23-26-28/h21-23,25-26H,2-20,24,27H2,1H3