sodium 4-(2-nitrophenoxy)butane-1-sulfonate

Systemtic Name: sodium 4-(2-nitrophenoxy)butane-1-sulfonate Openeye Name: sodium 4-(2-nitrophenoxy)butane-1-sulfonate CAS Name: sodium 4-(2-nitrophenoxy)-1-butanesulfonate IUPAC Name: sodium 4-(2-nitrophenoxy)butane-1-sulfonate Traditional Name: sodium 4-(2-nitrophenoxy)butane-1-sulfonate Formula: C10H12NNaO6S MolecularWeight: 297.26015

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H13NO6S.Na/c12-11(13)9-5-1-2-6-10(9)17-7-3-4-8-18(14,15)16;/h1-2,5-6H,3-4,7-8H2,(H,14,15,16);/q;+1/p-1