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

Systemtic Name: 4-methoxy-3-[(3-phenyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid Openeye Name: 4-methoxy-3-[(3-phenyl-5-thioxo-dithiol-4-yl)methyl]benzenesulfonic acid CAS Name: 4-methoxy-3-[(3-phenyl-5-sulfanylidene-4-dithiolyl)methyl]benzenesulfonic acid IUPAC Name: 4-methoxy-3-[(3-phenyl-5-sulfanylidenedithiol-4-yl)methyl]benzenesulfonic acid Traditional Name: 4-methoxy-3-[(3-phenyl-5-thioxo-dithiol-4-yl)methyl]besylic acid Formula: C17H14O4S4 MolecularWeight: 410.55066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)O)CC2=C(SSC2=S)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)O)CC2=C(SSC2=S)C3=CC=CC=C3

InChI

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