3-nitro-N,N-dioctadecyl-benzenesulfonamide

Systemtic Name: 3-nitro-N,N-dioctadecyl-benzenesulfonamide Openeye Name: 3-nitro-N,N-dioctadecyl-benzenesulfonamide CAS Name: 3-nitro-N,N-dioctadecylbenzenesulfonamide IUPAC Name: 3-nitro-N,N-dioctadecylbenzenesulfonamide Traditional Name: 3-nitro-N,N-distearyl-benzenesulfonamide Formula: C42H78N2O4S MolecularWeight: 707.14472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C42H78N2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-43(49(47,48)42-37-35-36-41(40-42)44(45)46)39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,40H,3-34,38-39H2,1-2H3