(4-azanyl-3-nitro-phenyl) 4-tert-butylbenzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-tert-butylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-16(2,3)11-4-7-13(8-5-11)24(21,22)23-12-6-9-14(17)15(10-12)18(19)20/h4-10H,17H2,1-3H3