sodium 2-(4-methylphenoxy)ethanesulfonate

Systemtic Name: sodium 2-(4-methylphenoxy)ethanesulfonate Openeye Name: sodium 2-(4-methylphenoxy)ethanesulfonate CAS Name: sodium 2-(4-methylphenoxy)ethanesulfonate IUPAC Name: sodium 2-(4-methylphenoxy)ethanesulfonate Traditional Name: sodium 2-(4-methylphenoxy)ethanesulfonate Formula: C9H11NaO4S MolecularWeight: 238.23601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O4S.Na/c1-8-2-4-9(5-3-8)13-6-7-14(10,11)12;/h2-5H,6-7H2,1H3,(H,10,11,12);/q;+1/p-1