sodium 3-phenylsulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-phenylsulfanylpropane-1-sulfonate Openeye Name: sodium 3-phenylsulfanylpropane-1-sulfonate CAS Name: sodium 3-(phenylthio)-1-propanesulfonate IUPAC Name: sodium 3-phenylsulfanylpropane-1-sulfonate Traditional Name: sodium 3-(phenylthio)propane-1-sulfonate Formula: C9H11NaO3S2 MolecularWeight: 254.30161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S2.Na/c10-14(11,12)8-4-7-13-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,10,11,12);/q;+1/p-1