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

Systemtic Name: sodium 5-(3-dodecyl-5-sulfanylidene-1,2-dithiol-4-yl)-2-methoxy-benzenesulfonic acid Openeye Name: sodium 5-(3-dodecyl-5-thioxo-dithiol-4-yl)-2-methoxy-benzenesulfonic acid CAS Name: sodium 5-(3-dodecyl-5-sulfanylidene-4-dithiolyl)-2-methoxybenzenesulfonic acid IUPAC Name: sodium 5-(3-dodecyl-5-sulfanylidenedithiol-4-yl)-2-methoxybenzenesulfonic acid Traditional Name: sodium 5-(3-lauryl-5-thioxo-dithiol-4-yl)-2-methoxy-besylic acid Formula: C22H32NaO4S4+ MolecularWeight: 511.73685

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=S)SS1)C2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=S)SS1)C2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C22H32O4S4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-19-21(22(27)29-28-19)17-14-15-18(26-2)20(16-17)30(23,24)25;/h14-16H,3-13H2,1-2H3,(H,23,24,25);/q;+1