3-[(4-nitro-3-oxidanyl-phenyl)-propyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-nitro-3-oxidanyl-phenyl)-propyl-amino]propane-1-sulfonic acid Openeye Name: 3-(3-hydroxy-4-nitro-N-propyl-anilino)propane-1-sulfonic acid CAS Name: 3-(3-hydroxy-4-nitro-N-propylanilino)-1-propanesulfonic acid IUPAC Name: 3-(3-hydroxy-4-nitro-N-propylanilino)propane-1-sulfonic acid Traditional Name: 3-(3-hydroxy-4-nitro-N-propyl-anilino)propane-1-sulfonic acid Formula: C12H18N2O6S MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C12H18N2O6S/c1-2-6-13(7-3-8-21(18,19)20)10-4-5-11(14(16)17)12(15)9-10/h4-5,9,15H,2-3,6-8H2,1H3,(H,18,19,20)