sodium 3-(4-methylphenoxy)propane-1-sulfonate

Systemtic Name: sodium 3-(4-methylphenoxy)propane-1-sulfonate Openeye Name: sodium 3-(4-methylphenoxy)propane-1-sulfonate CAS Name: sodium 3-(4-methylphenoxy)-1-propanesulfonate IUPAC Name: sodium 3-(4-methylphenoxy)propane-1-sulfonate Traditional Name: sodium 3-(4-methylphenoxy)propane-1-sulfonate Formula: C10H13NaO4S MolecularWeight: 252.26259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O4S.Na/c1-9-3-5-10(6-4-9)14-7-2-8-15(11,12)13;/h3-6H,2,7-8H2,1H3,(H,11,12,13);/q;+1/p-1