(4-azanyl-3-nitro-phenyl) 4-propylbenzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-propylbenzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-propylbenzenesulfonate CAS Name: 4-propylbenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-propylbenzenesulfonate Traditional Name: 4-propylbenzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O5S/c1-2-3-11-4-7-13(8-5-11)23(20,21)22-12-6-9-14(16)15(10-12)17(18)19/h4-10H,2-3,16H2,1H3