dinaphthalen-2-yl-[[2-(2-phenoxyethyl)phenyl]methyl]azanium; 3-nitrobenzenesulfonate

Systemtic Name: dinaphthalen-2-yl-[[2-(2-phenoxyethyl)phenyl]methyl]azanium; 3-nitrobenzenesulfonate Openeye Name: bis(2-naphthyl)-[[2-(2-phenoxyethyl)phenyl]methyl]ammonium; 3-nitrobenzenesulfonate CAS Name: bis(2-naphthalenyl)-[[2-(2-phenoxyethyl)phenyl]methyl]ammonium; 3-nitrobenzenesulfonate IUPAC Name: dinaphthalen-2-yl-[[2-(2-phenoxyethyl)phenyl]methyl]azanium; 3-nitrobenzenesulfonate Traditional Name: bis(2-naphthyl)-[2-(2-phenoxyethyl)benzyl]ammonium; 3-nitrobesylate Formula: C41H34N2O6S MolecularWeight: 682.78346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCC2=CC=CC=C2C[NH+](C3=CC4=CC=CC=C4C=C3)C5=CC6=CC=CC=C6C=C5.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCC2=CC=CC=C2C[NH+](C3=CC4=CC=CC=C4C=C3)C5=CC6=CC=CC=C6C=C5.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C35H29NO.C6H5NO5S/c1-2-16-35(17-3-1)37-23-22-29-12-6-9-15-32(29)26-36(33-20-18-27-10-4-7-13-30(27)24-33)34-21-19-28-11-5-8-14-31(28)25-34;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-21,24-25H,22-23,26H2;1-4H,(H,10,11,12)