[methyl-[oxidanyl-(2,4,6-trimethylphenyl)methyl]amino] 4-nitrobenzenesulfonate

Systemtic Name: [methyl-[oxidanyl-(2,4,6-trimethylphenyl)methyl]amino] 4-nitrobenzenesulfonate Openeye Name: [[hydroxy-(2,4,6-trimethylphenyl)methyl]-methyl-amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [[hydroxy-(2,4,6-trimethylphenyl)methyl]-methylamino] ester IUPAC Name: [[hydroxy-(2,4,6-trimethylphenyl)methyl]-methylamino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [[hydroxy(mesityl)methyl]-methyl-amino] ester Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6S/c1-11-9-12(2)16(13(3)10-11)17(20)18(4)25-26(23,24)15-7-5-14(6-8-15)19(21)22/h5-10,17,20H,1-4H3