4-(3-azanyl-4-nitro-phenoxy)butane-1-sulfonic acid

Systemtic Name: 4-(3-azanyl-4-nitro-phenoxy)butane-1-sulfonic acid Openeye Name: 4-(3-amino-4-nitro-phenoxy)butane-1-sulfonic acid CAS Name: 4-(3-amino-4-nitrophenoxy)-1-butanesulfonic acid IUPAC Name: 4-(3-amino-4-nitrophenoxy)butane-1-sulfonic acid Traditional Name: 4-(3-amino-4-nitro-phenoxy)butane-1-sulfonic acid Formula: C10H14N2O6S MolecularWeight: 290.29296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCCCS(=O)(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OCCCCS(=O)(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O6S/c11-9-7-8(3-4-10(9)12(13)14)18-5-1-2-6-19(15,16)17/h3-4,7H,1-2,5-6,11H2,(H,15,16,17)