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

Systemtic Name: sodium 5-[(3-butyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]-2-methoxy-benzenesulfonic acid Openeye Name: sodium 5-[(3-butyl-5-thioxo-dithiol-4-yl)methyl]-2-methoxy-benzenesulfonic acid CAS Name: sodium 5-[(3-butyl-5-sulfanylidene-4-dithiolyl)methyl]-2-methoxybenzenesulfonic acid IUPAC Name: sodium 5-[(3-butyl-5-sulfanylidenedithiol-4-yl)methyl]-2-methoxybenzenesulfonic acid Traditional Name: sodium 5-[(3-butyl-5-thioxo-dithiol-4-yl)methyl]-2-methoxy-besylic acid Formula: C15H18NaO4S4+ MolecularWeight: 413.55079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C15H18O4S4.Na/c1-3-4-5-13-11(15(20)22-21-13)8-10-6-7-12(19-2)14(9-10)23(16,17)18;/h6-7,9H,3-5,8H2,1-2H3,(H,16,17,18);/q;+1