sodium 4-(3-nitrophenoxy)butane-1-sulfonate

Systemtic Name: sodium 4-(3-nitrophenoxy)butane-1-sulfonate Openeye Name: sodium 4-(3-nitrophenoxy)butane-1-sulfonate CAS Name: sodium 4-(3-nitrophenoxy)-1-butanesulfonate IUPAC Name: sodium 4-(3-nitrophenoxy)butane-1-sulfonate Traditional Name: sodium 4-(3-nitrophenoxy)butane-1-sulfonate Formula: C10H12NNaO6S MolecularWeight: 297.26015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO6S.Na/c12-11(13)9-4-3-5-10(8-9)17-6-1-2-7-18(14,15)16;/h3-5,8H,1-2,6-7H2,(H,14,15,16);/q;+1/p-1