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

Systemtic Name: sodium 4-[(3-methyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid Openeye Name: sodium 4-[(3-methyl-5-thioxo-dithiol-4-yl)methyl]benzenesulfonic acid CAS Name: sodium 4-[(3-methyl-5-sulfanylidene-4-dithiolyl)methyl]benzenesulfonic acid IUPAC Name: sodium 4-[(3-methyl-5-sulfanylidenedithiol-4-yl)methyl]benzenesulfonic acid Traditional Name: sodium 4-[(3-methyl-5-thioxo-dithiol-4-yl)methyl]besylic acid Formula: C11H10NaO3S4+ MolecularWeight: 341.44507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)SS1)CC2=CC=C(C=C2)S(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=C(C(=S)SS1)CC2=CC=C(C=C2)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C11H10O3S4.Na/c1-7-10(11(15)17-16-7)6-8-2-4-9(5-3-8)18(12,13)14;/h2-5H,6H2,1H3,(H,12,13,14);/q;+1