sodium 4-(3-octylsulfanylpropyl)benzenesulfonate

Systemtic Name: sodium 4-(3-octylsulfanylpropyl)benzenesulfonate Openeye Name: sodium 4-(3-octylsulfanylpropyl)benzenesulfonate CAS Name: sodium 4-[3-(octylthio)propyl]benzenesulfonate IUPAC Name: sodium 4-(3-octylsulfanylpropyl)benzenesulfonate Traditional Name: sodium 4-[3-(octylthio)propyl]besylate Formula: C17H27NaO3S2 MolecularWeight: 366.51425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCSCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H28O3S2.Na/c1-2-3-4-5-6-7-14-21-15-8-9-16-10-12-17(13-11-16)22(18,19)20;/h10-13H,2-9,14-15H2,1H3,(H,18,19,20);/q;+1/p-1