bis[(2-methylphenyl)methyl]-(1-tetradecoxyethyl)azanium; 3-nitrobenzenesulfonate

Systemtic Name: bis[(2-methylphenyl)methyl]-(1-tetradecoxyethyl)azanium; 3-nitrobenzenesulfonate Openeye Name: bis(o-tolylmethyl)-(1-tetradecoxyethyl)ammonium; 3-nitrobenzenesulfonate CAS Name: bis[(2-methylphenyl)methyl]-(1-tetradecoxyethyl)ammonium; 3-nitrobenzenesulfonate IUPAC Name: bis[(2-methylphenyl)methyl]-(1-tetradecoxyethyl)azanium; 3-nitrobenzenesulfonate Traditional Name: bis(2-methylbenzyl)-(1-myristyloxyethyl)ammonium; 3-nitrobesylate Formula: C38H56N2O6S MolecularWeight: 668.92604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(C)[NH+](CC1=CC=CC=C1C)CC2=CC=CC=C2C.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOC(C)[NH+](CC1=CC=CC=C1C)CC2=CC=CC=C2C.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C32H51NO.C6H5NO5S/c1-5-6-7-8-9-10-11-12-13-14-15-20-25-34-30(4)33(26-31-23-18-16-21-28(31)2)27-32-24-19-17-22-29(32)3;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h16-19,21-24,30H,5-15,20,25-27H2,1-4H3;1-4H,(H,10,11,12)