(4-propoxyphenyl) 4-azanyl-3-nitro-benzenesulfonate

Systemtic Name: (4-propoxyphenyl) 4-azanyl-3-nitro-benzenesulfonate Openeye Name: (4-propoxyphenyl) 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid (4-propoxyphenyl) ester Formula: C15H16N2O6S MolecularWeight: 352.36234

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O6S/c1-2-9-22-11-3-5-12(6-4-11)23-24(20,21)13-7-8-14(16)15(10-13)17(18)19/h3-8,10H,2,9,16H2,1H3