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

Systemtic Name: sodium 4-[5-(3-phenyl-5-sulfanylidene-1,2-dithiol-4-yl)pentyl]benzenesulfonate Openeye Name: sodium 4-[5-(3-phenyl-5-thioxo-dithiol-4-yl)pentyl]benzenesulfonate CAS Name: sodium 4-[5-(3-phenyl-5-sulfanylidene-4-dithiolyl)pentyl]benzenesulfonate IUPAC Name: sodium 4-[5-(3-phenyl-5-sulfanylidenedithiol-4-yl)pentyl]benzenesulfonate Traditional Name: sodium 4-[5-(3-phenyl-5-thioxo-dithiol-4-yl)pentyl]besylate Formula: C20H19NaO3S4 MolecularWeight: 458.61283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=S)SS2)CCCCCC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=S)SS2)CCCCCC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H20O3S4.Na/c21-27(22,23)17-13-11-15(12-14-17)7-3-1-6-10-18-19(25-26-20(18)24)16-8-4-2-5-9-16;/h2,4-5,8-9,11-14H,1,3,6-7,10H2,(H,21,22,23);/q;+1/p-1