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

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

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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

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=S)SS2)CCCC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C18H16O3S4/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)