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

Systemtic Name: sodium 4-[(3-octyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid Openeye Name: sodium 4-[(3-octyl-5-thioxo-dithiol-4-yl)methyl]benzenesulfonic acid CAS Name: sodium 4-[(3-octyl-5-sulfanylidene-4-dithiolyl)methyl]benzenesulfonic acid IUPAC Name: sodium 4-[(3-octyl-5-sulfanylidenedithiol-4-yl)methyl]benzenesulfonic acid Traditional Name: sodium 4-[(3-octyl-5-thioxo-dithiol-4-yl)methyl]besylic acid Formula: C18H24NaO3S4+ MolecularWeight: 439.63113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O3S4.Na/c1-2-3-4-5-6-7-8-17-16(18(22)24-23-17)13-14-9-11-15(12-10-14)25(19,20)21;/h9-12H,2-8,13H2,1H3,(H,19,20,21);/q;+1