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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=S)SS2)CCCC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=S)SS2)CCCC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H16O3S4.Na/c19-25(20,21)15-11-9-13(10-12-15)5-4-8-16-17(23-24-18(16)22)14-6-2-1-3-7-14;/h1-3,6-7,9-12H,4-5,8H2,(H,19,20,21);/q;+1/p-1