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

Systemtic Name: (4-butoxyphenyl) 4-azanyl-3-nitro-benzenesulfonate Openeye Name: (4-butoxyphenyl) 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid (4-butoxyphenyl) ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6S/c1-2-3-10-23-12-4-6-13(7-5-12)24-25(21,22)14-8-9-15(17)16(11-14)18(19)20/h4-9,11H,2-3,10,17H2,1H3