3-[(4-nitroso-3-oxidanyl-phenyl)-(3-sulfopropyl)amino]propanoic acid

Systemtic Name: 3-[(4-nitroso-3-oxidanyl-phenyl)-(3-sulfopropyl)amino]propanoic acid Openeye Name: 3-[3-hydroxy-4-nitroso-N-(3-sulfopropyl)anilino]propanoic acid CAS Name: 3-[3-hydroxy-4-nitroso-N-(3-sulfopropyl)anilino]propanoic acid IUPAC Name: 3-[3-hydroxy-4-nitroso-N-(3-sulfopropyl)anilino]propanoic acid Traditional Name: 3-[3-hydroxy-4-nitroso-N-(3-sulfopropyl)anilino]propionic acid Formula: C12H16N2O7S MolecularWeight: 332.32964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N(CCCS(=O)(=O)O)CCC(=O)O)O)N=O

Isomeric SMILES

C1=CC(=C(C=C1N(CCCS(=O)(=O)O)CCC(=O)O)O)N=O

InChI

InChI=1S/C12H16N2O7S/c15-11-8-9(2-3-10(11)13-18)14(6-4-12(16)17)5-1-7-22(19,20)21/h2-3,8,15H,1,4-7H2,(H,16,17)(H,19,20,21)