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

Systemtic Name: sodium 2-methoxy-5-[(3-octyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid Openeye Name: sodium 2-methoxy-5-[(3-octyl-5-thioxo-dithiol-4-yl)methyl]benzenesulfonic acid CAS Name: sodium 2-methoxy-5-[(3-octyl-5-sulfanylidene-4-dithiolyl)methyl]benzenesulfonic acid IUPAC Name: sodium 2-methoxy-5-[(3-octyl-5-sulfanylidenedithiol-4-yl)methyl]benzenesulfonic acid Traditional Name: sodium 2-methoxy-5-[(3-octyl-5-thioxo-dithiol-4-yl)methyl]besylic acid Formula: C19H26NaO4S4+ MolecularWeight: 469.65711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C19H26O4S4.Na/c1-3-4-5-6-7-8-9-17-15(19(24)26-25-17)12-14-10-11-16(23-2)18(13-14)27(20,21)22;/h10-11,13H,3-9,12H2,1-2H3,(H,20,21,22);/q;+1