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

Systemtic Name: sodium 2-methyl-5-[(3-phenyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid Openeye Name: sodium 2-methyl-5-[(3-phenyl-5-thioxo-dithiol-4-yl)methyl]benzenesulfonic acid CAS Name: sodium 2-methyl-5-[(3-phenyl-5-sulfanylidene-4-dithiolyl)methyl]benzenesulfonic acid IUPAC Name: sodium 2-methyl-5-[(3-phenyl-5-sulfanylidenedithiol-4-yl)methyl]benzenesulfonic acid Traditional Name: sodium 2-methyl-5-[(3-phenyl-5-thioxo-dithiol-4-yl)methyl]besylic acid Formula: C17H14NaO3S4+ MolecularWeight: 417.54103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=C(SSC2=S)C3=CC=CC=C3)S(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=C(SSC2=S)C3=CC=CC=C3)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C17H14O3S4.Na/c1-11-7-8-12(10-15(11)24(18,19)20)9-14-16(22-23-17(14)21)13-5-3-2-4-6-13;/h2-8,10H,9H2,1H3,(H,18,19,20);/q;+1