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

Systemtic Name: sodium 5-(3-hexyl-5-sulfanylidene-1,2-dithiol-4-yl)-2-methoxy-benzenesulfonic acid Openeye Name: sodium 5-(3-hexyl-5-thioxo-dithiol-4-yl)-2-methoxy-benzenesulfonic acid CAS Name: sodium 5-(3-hexyl-5-sulfanylidene-4-dithiolyl)-2-methoxybenzenesulfonic acid IUPAC Name: sodium 5-(3-hexyl-5-sulfanylidenedithiol-4-yl)-2-methoxybenzenesulfonic acid Traditional Name: sodium 5-(3-hexyl-5-thioxo-dithiol-4-yl)-2-methoxy-besylic acid Formula: C16H20NaO4S4+ MolecularWeight: 427.57737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O4S4.Na/c1-3-4-5-6-7-13-15(16(21)23-22-13)11-8-9-12(20-2)14(10-11)24(17,18)19;/h8-10H,3-7H2,1-2H3,(H,17,18,19);/q;+1