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

Systemtic Name: 2-methoxy-5-[(3-pentyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid Openeye Name: 2-methoxy-5-[(3-pentyl-5-thioxo-dithiol-4-yl)methyl]benzenesulfonic acid CAS Name: 2-methoxy-5-[(3-pentyl-5-sulfanylidene-4-dithiolyl)methyl]benzenesulfonic acid IUPAC Name: 2-methoxy-5-[(3-pentyl-5-sulfanylidenedithiol-4-yl)methyl]benzenesulfonic acid Traditional Name: 5-[(3-amyl-5-thioxo-dithiol-4-yl)methyl]-2-methoxy-besylic acid Formula: C16H20O4S4 MolecularWeight: 404.5876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O

InChI

InChI=1S/C16H20O4S4/c1-3-4-5-6-14-12(16(21)23-22-14)9-11-7-8-13(20-2)15(10-11)24(17,18)19/h7-8,10H,3-6,9H2,1-2H3,(H,17,18,19)