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

Systemtic Name: 4-[2-[3-(4-methylphenyl)-5-sulfanylidene-1,2-dithiol-4-yl]ethyl]benzenesulfonic acid Openeye Name: 4-[2-[3-(p-tolyl)-5-thioxo-dithiol-4-yl]ethyl]benzenesulfonic acid CAS Name: 4-[2-[3-(4-methylphenyl)-5-sulfanylidene-4-dithiolyl]ethyl]benzenesulfonic acid IUPAC Name: 4-[2-[3-(4-methylphenyl)-5-sulfanylidenedithiol-4-yl]ethyl]benzenesulfonic acid Traditional Name: 4-[2-[3-(p-tolyl)-5-thioxo-dithiol-4-yl]ethyl]besylic acid Formula: C18H16O3S4 MolecularWeight: 408.57784

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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

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=S)SS2)CCC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C18H16O3S4/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)