2-(4-chlorophenyl)carbonyloxyethyl-bis[(2-methylphenyl)methyl]azanium; 3-nitrobenzenesulfonate

Systemtic Name: 2-(4-chlorophenyl)carbonyloxyethyl-bis[(2-methylphenyl)methyl]azanium; 3-nitrobenzenesulfonate Openeye Name: 2-(4-chlorobenzoyl)oxyethyl-bis(o-tolylmethyl)ammonium; 3-nitrobenzenesulfonate CAS Name: 2-[(4-chlorophenyl)-oxomethoxy]ethyl-bis[(2-methylphenyl)methyl]ammonium; 3-nitrobenzenesulfonate IUPAC Name: 2-(4-chlorobenzoyl)oxyethyl-bis[(2-methylphenyl)methyl]azanium; 3-nitrobenzenesulfonate Traditional Name: 2-(4-chlorobenzoyl)oxyethyl-bis(2-methylbenzyl)ammonium; 3-nitrobesylate Formula: C31H31ClN2O7S MolecularWeight: 611.10504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CCOC(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3C.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CCOC(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3C.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H26ClNO2.C6H5NO5S/c1-19-7-3-5-9-22(19)17-27(18-23-10-6-4-8-20(23)2)15-16-29-25(28)21-11-13-24(26)14-12-21;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h3-14H,15-18H2,1-2H3;1-4H,(H,10,11,12)