[methyl-[(4-methylphenyl)-oxidanyl-methyl]amino] 4-nitrobenzenesulfonate

Systemtic Name: [methyl-[(4-methylphenyl)-oxidanyl-methyl]amino] 4-nitrobenzenesulfonate Openeye Name: [[hydroxy(p-tolyl)methyl]-methyl-amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [[hydroxy-(4-methylphenyl)methyl]-methylamino] ester IUPAC Name: [[hydroxy-(4-methylphenyl)methyl]-methylamino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [[hydroxy(p-tolyl)methyl]-methyl-amino] ester Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(N(C)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C(N(C)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H16N2O6S/c1-11-3-5-12(6-4-11)15(18)16(2)23-24(21,22)14-9-7-13(8-10-14)17(19)20/h3-10,15,18H,1-2H3