sodium 5-methyl-2-octoxy-benzenesulfinate

Systemtic Name: sodium 5-methyl-2-octoxy-benzenesulfinate Openeye Name: sodium 5-methyl-2-octoxy-benzenesulfinate CAS Name: sodium 5-methyl-2-octoxybenzenesulfinate IUPAC Name: sodium 5-methyl-2-octoxybenzenesulfinate Traditional Name: sodium 5-methyl-2-octoxy-benzenesulfinate Formula: C15H23NaO3S MolecularWeight: 306.39609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C)S(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C)S(=O)[O-].[Na+]

InChI

InChI=1S/C15H24O3S.Na/c1-3-4-5-6-7-8-11-18-14-10-9-13(2)12-15(14)19(16)17;/h9-10,12H,3-8,11H2,1-2H3,(H,16,17);/q;+1/p-1