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

Systemtic Name: sodium 4-methoxy-2-[(3-phenyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid Openeye Name: sodium 4-methoxy-2-[(3-phenyl-5-thioxo-dithiol-4-yl)methyl]benzenesulfonic acid CAS Name: sodium 4-methoxy-2-[(3-phenyl-5-sulfanylidene-4-dithiolyl)methyl]benzenesulfonic acid IUPAC Name: sodium 4-methoxy-2-[(3-phenyl-5-sulfanylidenedithiol-4-yl)methyl]benzenesulfonic acid Traditional Name: sodium 4-methoxy-2-[(3-phenyl-5-thioxo-dithiol-4-yl)methyl]besylic acid Formula: C17H14NaO4S4+ MolecularWeight: 433.54043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)O)CC2=C(SSC2=S)C3=CC=CC=C3.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)O)CC2=C(SSC2=S)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C17H14O4S4.Na/c1-21-13-7-8-15(25(18,19)20)12(9-13)10-14-16(23-24-17(14)22)11-5-3-2-4-6-11;/h2-9H,10H2,1H3,(H,18,19,20);/q;+1