sodium 2-(3,4-dimethylphenoxy)ethanesulfonate

Systemtic Name: sodium 2-(3,4-dimethylphenoxy)ethanesulfonate Openeye Name: sodium 2-(3,4-dimethylphenoxy)ethanesulfonate CAS Name: sodium 2-(3,4-dimethylphenoxy)ethanesulfonate IUPAC Name: sodium 2-(3,4-dimethylphenoxy)ethanesulfonate Traditional Name: sodium 2-(3,4-dimethylphenoxy)ethanesulfonate Formula: C10H13NaO4S MolecularWeight: 252.26259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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