sodium 4-[[3-(4-ethylphenyl)-5-sulfanylidene-1,2-dithiol-4-yl]methyl]benzenesulfonic acid

Systemtic Name: sodium 4-[[3-(4-ethylphenyl)-5-sulfanylidene-1,2-dithiol-4-yl]methyl]benzenesulfonic acid Openeye Name: sodium 4-[[3-(4-ethylphenyl)-5-thioxo-dithiol-4-yl]methyl]benzenesulfonic acid CAS Name: sodium 4-[[3-(4-ethylphenyl)-5-sulfanylidene-4-dithiolyl]methyl]benzenesulfonic acid IUPAC Name: sodium 4-[[3-(4-ethylphenyl)-5-sulfanylidenedithiol-4-yl]methyl]benzenesulfonic acid Traditional Name: sodium 4-[[3-(4-ethylphenyl)-5-thioxo-dithiol-4-yl]methyl]besylic acid Formula: C18H16NaO3S4+ MolecularWeight: 431.56761

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=S)SS2)CC3=CC=C(C=C3)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=S)SS2)CC3=CC=C(C=C3)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H16O3S4.Na/c1-2-12-3-7-14(8-4-12)17-16(18(22)24-23-17)11-13-5-9-15(10-6-13)25(19,20)21;/h3-10H,2,11H2,1H3,(H,19,20,21);/q;+1