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

Systemtic Name: 4-[(3-phenyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid Openeye Name: 4-[(3-phenyl-5-thioxo-dithiol-4-yl)methyl]benzenesulfonic acid CAS Name: 4-[(3-phenyl-5-sulfanylidene-4-dithiolyl)methyl]benzenesulfonic acid IUPAC Name: 4-[(3-phenyl-5-sulfanylidenedithiol-4-yl)methyl]benzenesulfonic acid Traditional Name: 4-[(3-phenyl-5-thioxo-dithiol-4-yl)methyl]besylic acid Formula: C16H12O3S4 MolecularWeight: 380.52468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=S)SS2)CC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=S)SS2)CC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H12O3S4/c17-23(18,19)13-8-6-11(7-9-13)10-14-15(21-22-16(14)20)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,18,19)