1-[(4-nitrosonaphthalen-1-yl)amino]propane-1-sulfonic acid

Systemtic Name: 1-[(4-nitrosonaphthalen-1-yl)amino]propane-1-sulfonic acid Openeye Name: 1-[(4-nitroso-1-naphthyl)amino]propane-1-sulfonic acid CAS Name: 1-[(4-nitroso-1-naphthalenyl)amino]-1-propanesulfonic acid IUPAC Name: 1-[(4-nitrosonaphthalen-1-yl)amino]propane-1-sulfonic acid Traditional Name: 1-[(4-nitroso-1-naphthyl)amino]propane-1-sulfonic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=CC=C(C2=CC=CC=C21)N=O)S(=O)(=O)O

Isomeric SMILES

CCC(NC1=CC=C(C2=CC=CC=C21)N=O)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-2-13(20(17,18)19)14-11-7-8-12(15-16)10-6-4-3-5-9(10)11/h3-8,13-14H,2H2,1H3,(H,17,18,19)