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

Systemtic Name: 3-(3-azanyl-4-nitro-phenoxy)propane-1-sulfonic acid Openeye Name: 3-(3-amino-4-nitro-phenoxy)propane-1-sulfonic acid CAS Name: 3-(3-amino-4-nitrophenoxy)-1-propanesulfonic acid IUPAC Name: 3-(3-amino-4-nitrophenoxy)propane-1-sulfonic acid Traditional Name: 3-(3-amino-4-nitro-phenoxy)propane-1-sulfonic acid Formula: C9H12N2O6S MolecularWeight: 276.26638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCCS(=O)(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OCCCS(=O)(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H12N2O6S/c10-8-6-7(2-3-9(8)11(12)13)17-4-1-5-18(14,15)16/h2-3,6H,1,4-5,10H2,(H,14,15,16)