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

Systemtic Name: sodium 5-[(3-heptyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]-2-methoxy-benzenesulfonic acid Openeye Name: sodium 5-[(3-heptyl-5-thioxo-dithiol-4-yl)methyl]-2-methoxy-benzenesulfonic acid CAS Name: sodium 5-[(3-heptyl-5-sulfanylidene-4-dithiolyl)methyl]-2-methoxybenzenesulfonic acid IUPAC Name: sodium 5-[(3-heptyl-5-sulfanylidenedithiol-4-yl)methyl]-2-methoxybenzenesulfonic acid Traditional Name: sodium 5-[(3-heptyl-5-thioxo-dithiol-4-yl)methyl]-2-methoxy-besylic acid Formula: C18H24NaO4S4+ MolecularWeight: 455.63053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H24O4S4.Na/c1-3-4-5-6-7-8-16-14(18(23)25-24-16)11-13-9-10-15(22-2)17(12-13)26(19,20)21;/h9-10,12H,3-8,11H2,1-2H3,(H,19,20,21);/q;+1