5-azanyl-2-nitro-benzenesulfonic acid; octan-1-amine

Systemtic Name: 5-azanyl-2-nitro-benzenesulfonic acid; octan-1-amine Openeye Name: 5-amino-2-nitro-benzenesulfonic acid; octan-1-amine CAS Name: 5-amino-2-nitrobenzenesulfonic acid; 1-octanamine IUPAC Name: 5-amino-2-nitrobenzenesulfonic acid; octan-1-amine Traditional Name: 5-amino-2-nitro-besylic acid; octylamine Formula: C14H25N3O5S MolecularWeight: 347.4304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN.C1=CC(=C(C=C1N)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCN.C1=CC(=C(C=C1N)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H19N.C6H6N2O5S/c1-2-3-4-5-6-7-8-9;7-4-1-2-5(8(9)10)6(3-4)14(11,12)13/h2-9H2,1H3;1-3H,7H2,(H,11,12,13)