sodium 4-(3-methyl-4-nitro-phenoxy)butane-1-sulfonate

Systemtic Name: sodium 4-(3-methyl-4-nitro-phenoxy)butane-1-sulfonate Openeye Name: sodium 4-(3-methyl-4-nitro-phenoxy)butane-1-sulfonate CAS Name: sodium 4-(3-methyl-4-nitrophenoxy)-1-butanesulfonate IUPAC Name: sodium 4-(3-methyl-4-nitrophenoxy)butane-1-sulfonate Traditional Name: sodium 4-(3-methyl-4-nitro-phenoxy)butane-1-sulfonate Formula: C11H14NNaO6S MolecularWeight: 311.28673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C11H15NO6S.Na/c1-9-8-10(4-5-11(9)12(13)14)18-6-2-3-7-19(15,16)17;/h4-5,8H,2-3,6-7H2,1H3,(H,15,16,17);/q;+1/p-1