4-phenyl-1,3-dithiol-1-ium sulfate

Systemtic Name: 4-phenyl-1,3-dithiol-1-ium sulfate Openeye Name: 4-phenyl-1,3-dithiol-1-ium sulfate CAS Name: 4-phenyl-1,3-dithiol-1-ium sulfate IUPAC Name: 4-phenyl-1,3-dithiol-1-ium sulfate Traditional Name: 4-phenyl-1,3-dithiol-1-ium sulfate Formula: C18H14O4S5 MolecularWeight: 454.62636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[S+]=CS2.C1=CC=C(C=C1)C2=C[S+]=CS2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C[S+]=CS2.C1=CC=C(C=C1)C2=C[S+]=CS2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C9H7S2.H2O4S/c2*1-2-4-8(5-3-1)9-6-10-7-11-9;1-5(2,3)4/h2*1-7H;(H2,1,2,3,4)/q2*+1;/p-2