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

Systemtic Name: 2-(4-methoxyphenyl)carbonyloxyethyl-bis[(2-methylphenyl)methyl]azanium; 3-nitrobenzenesulfonate Openeye Name: 2-(4-methoxybenzoyl)oxyethyl-bis(o-tolylmethyl)ammonium; 3-nitrobenzenesulfonate CAS Name: 2-[(4-methoxyphenyl)-oxomethoxy]ethyl-bis[(2-methylphenyl)methyl]ammonium; 3-nitrobenzenesulfonate IUPAC Name: 2-(4-methoxybenzoyl)oxyethyl-bis[(2-methylphenyl)methyl]azanium; 3-nitrobenzenesulfonate Traditional Name: bis(2-methylbenzyl)-(2-p-anisoyloxyethyl)ammonium; 3-nitrobesylate Formula: C32H34N2O8S MolecularWeight: 606.68596

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H29NO3.C6H5NO5S/c1-20-8-4-6-10-23(20)18-27(19-24-11-7-5-9-21(24)2)16-17-30-26(28)22-12-14-25(29-3)15-13-22;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h4-15H,16-19H2,1-3H3;1-4H,(H,10,11,12)