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

Systemtic Name: sodium 5-[(3-hexyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]-2-methoxy-benzenesulfonic acid Openeye Name: sodium 5-[(3-hexyl-5-thioxo-dithiol-4-yl)methyl]-2-methoxy-benzenesulfonic acid CAS Name: sodium 5-[(3-hexyl-5-sulfanylidene-4-dithiolyl)methyl]-2-methoxybenzenesulfonic acid IUPAC Name: sodium 5-[(3-hexyl-5-sulfanylidenedithiol-4-yl)methyl]-2-methoxybenzenesulfonic acid Traditional Name: sodium 5-[(3-hexyl-5-thioxo-dithiol-4-yl)methyl]-2-methoxy-besylic acid Formula: C17H22NaO4S4+ MolecularWeight: 441.60395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C17H22O4S4.Na/c1-3-4-5-6-7-15-13(17(22)24-23-15)10-12-8-9-14(21-2)16(11-12)25(18,19)20;/h8-9,11H,3-7,10H2,1-2H3,(H,18,19,20);/q;+1