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

Systemtic Name: 4-[(3-butyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid Openeye Name: 4-[(3-butyl-5-thioxo-dithiol-4-yl)methyl]benzenesulfonic acid CAS Name: 4-[(3-butyl-5-sulfanylidene-4-dithiolyl)methyl]benzenesulfonic acid IUPAC Name: 4-[(3-butyl-5-sulfanylidenedithiol-4-yl)methyl]benzenesulfonic acid Traditional Name: 4-[(3-butyl-5-thioxo-dithiol-4-yl)methyl]besylic acid Formula: C14H16O3S4 MolecularWeight: 360.53504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=S)SS1)CC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCC1=C(C(=S)SS1)CC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C14H16O3S4/c1-2-3-4-13-12(14(18)20-19-13)9-10-5-7-11(8-6-10)21(15,16)17/h5-8H,2-4,9H2,1H3,(H,15,16,17)