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

Systemtic Name: sodium 4-[2-[3-(4-methylphenyl)-5-sulfanylidene-1,2-dithiol-4-yl]ethyl]benzenesulfonate Openeye Name: sodium 4-[2-[3-(p-tolyl)-5-thioxo-dithiol-4-yl]ethyl]benzenesulfonate CAS Name: sodium 4-[2-[3-(4-methylphenyl)-5-sulfanylidene-4-dithiolyl]ethyl]benzenesulfonate IUPAC Name: sodium 4-[2-[3-(4-methylphenyl)-5-sulfanylidenedithiol-4-yl]ethyl]benzenesulfonate Traditional Name: sodium 4-[2-[3-(p-tolyl)-5-thioxo-dithiol-4-yl]ethyl]besylate Formula: C18H15NaO3S4 MolecularWeight: 430.55967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=S)SS2)CCC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=S)SS2)CCC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H16O3S4.Na/c1-12-2-7-14(8-3-12)17-16(18(22)24-23-17)11-6-13-4-9-15(10-5-13)25(19,20)21;/h2-5,7-10H,6,11H2,1H3,(H,19,20,21);/q;+1/p-1