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4-[(4-nitrophenyl)methylamino]benzenesulfonic acid

4-[(4-nitrophenyl)methylamino]benzenesulfonic acid

Systemtic Name:4-[(4-nitrophenyl)methylamino]benzenesulfonic acid
Openeye Name:4-[(4-nitrophenyl)methylamino]benzenesulfonic acid
CAS Name:4-[(4-nitrophenyl)methylamino]benzenesulfonic acid
IUPAC Name:4-[(4-nitrophenyl)methylamino]benzenesulfonic acid
Traditional Name:4-[(4-nitrobenzyl)amino]besylic acid
Formula: C13H12N2O5S
MolecularWeight: 308.30978
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1CNC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C13H12N2O5S/c16-15(17)12-5-1-10(2-6-12)9-14-11-3-7-13(8-4-11)21(18,19)20/h1-8,14H,9H2,(H,18,19,20)


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