sodium 3-(3,4-dimethylphenoxy)propane-1-sulfonate

Systemtic Name: sodium 3-(3,4-dimethylphenoxy)propane-1-sulfonate Openeye Name: sodium 3-(3,4-dimethylphenoxy)propane-1-sulfonate CAS Name: sodium 3-(3,4-dimethylphenoxy)-1-propanesulfonate IUPAC Name: sodium 3-(3,4-dimethylphenoxy)propane-1-sulfonate Traditional Name: sodium 3-(3,4-dimethylphenoxy)propane-1-sulfonate Formula: C11H15NaO4S MolecularWeight: 266.28917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O4S.Na/c1-9-4-5-11(8-10(9)2)15-6-3-7-16(12,13)14;/h4-5,8H,3,6-7H2,1-2H3,(H,12,13,14);/q;+1/p-1