sodium 4-[2-(3-phenyl-5-sulfanylidene-1,2-dithiol-4-yl)ethyl]benzenesulfonate

Systemtic Name: sodium 4-[2-(3-phenyl-5-sulfanylidene-1,2-dithiol-4-yl)ethyl]benzenesulfonate Openeye Name: sodium 4-[2-(3-phenyl-5-thioxo-dithiol-4-yl)ethyl]benzenesulfonate CAS Name: sodium 4-[2-(3-phenyl-5-sulfanylidene-4-dithiolyl)ethyl]benzenesulfonate IUPAC Name: sodium 4-[2-(3-phenyl-5-sulfanylidenedithiol-4-yl)ethyl]benzenesulfonate Traditional Name: sodium 4-[2-(3-phenyl-5-thioxo-dithiol-4-yl)ethyl]besylate Formula: C17H13NaO3S4 MolecularWeight: 416.53309

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=S)SS2)CCC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=S)SS2)CCC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H14O3S4.Na/c18-24(19,20)14-9-6-12(7-10-14)8-11-15-16(22-23-17(15)21)13-4-2-1-3-5-13;/h1-7,9-10H,8,11H2,(H,18,19,20);/q;+1/p-1