sodium 4-(4-methylsulfanyloxyphenoxy)butane-1-sulfonate

Systemtic Name: sodium 4-(4-methylsulfanyloxyphenoxy)butane-1-sulfonate Openeye Name: sodium 4-(4-methylsulfanyloxyphenoxy)butane-1-sulfonate CAS Name: sodium 4-[4-(methylthio)oxyphenoxy]-1-butanesulfonate IUPAC Name: sodium 4-(4-methylsulfanyloxyphenoxy)butane-1-sulfonate Traditional Name: sodium 4-[4-(methylthio)oxyphenoxy]butane-1-sulfonate Formula: C11H15NaO5S2 MolecularWeight: 314.35357

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Descriptors Computed from Structure

Canonical SMILES:

CSOC1=CC=C(C=C1)OCCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CSOC1=CC=C(C=C1)OCCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H16O5S2.Na/c1-17-16-11-6-4-10(5-7-11)15-8-2-3-9-18(12,13)14;/h4-7H,2-3,8-9H2,1H3,(H,12,13,14);/q;+1/p-1