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

Systemtic Name: 4-[(3-hexyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid Openeye Name: 4-[(3-hexyl-5-thioxo-dithiol-4-yl)methyl]benzenesulfonic acid CAS Name: 4-[(3-hexyl-5-sulfanylidene-4-dithiolyl)methyl]benzenesulfonic acid IUPAC Name: 4-[(3-hexyl-5-sulfanylidenedithiol-4-yl)methyl]benzenesulfonic acid Traditional Name: 4-[(3-hexyl-5-thioxo-dithiol-4-yl)methyl]besylic acid Formula: C16H20O3S4 MolecularWeight: 388.5882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=S)SS1)CC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCC1=C(C(=S)SS1)CC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C16H20O3S4/c1-2-3-4-5-6-15-14(16(20)22-21-15)11-12-7-9-13(10-8-12)23(17,18)19/h7-10H,2-6,11H2,1H3,(H,17,18,19)