sodium 3-(2-methoxyethyl)-5-methyl-benzenesulfonate

Systemtic Name: sodium 3-(2-methoxyethyl)-5-methyl-benzenesulfonate Openeye Name: sodium 3-(2-methoxyethyl)-5-methyl-benzenesulfonate CAS Name: sodium 3-(2-methoxyethyl)-5-methylbenzenesulfonate IUPAC Name: sodium 3-(2-methoxyethyl)-5-methylbenzenesulfonate Traditional Name: sodium 3-(2-methoxyethyl)-5-methyl-besylate Formula: C10H13NaO4S MolecularWeight: 252.26259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)[O-])CCOC.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)[O-])CCOC.[Na+]

InChI

InChI=1S/C10H14O4S.Na/c1-8-5-9(3-4-14-2)7-10(6-8)15(11,12)13;/h5-7H,3-4H2,1-2H3,(H,11,12,13);/q;+1/p-1