3-[(4-nitrosonaphthalen-1-yl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-nitrosonaphthalen-1-yl)amino]propane-1-sulfonic acid Openeye Name: 3-[(4-nitroso-1-naphthyl)amino]propane-1-sulfonic acid CAS Name: 3-[(4-nitroso-1-naphthalenyl)amino]-1-propanesulfonic acid IUPAC Name: 3-[(4-nitrosonaphthalen-1-yl)amino]propane-1-sulfonic acid Traditional Name: 3-[(4-nitroso-1-naphthyl)amino]propane-1-sulfonic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N=O)NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-15-13-7-6-12(10-4-1-2-5-11(10)13)14-8-3-9-20(17,18)19/h1-2,4-7,14H,3,8-9H2,(H,17,18,19)