4-[[4-oxidanidyl-3-(thiolan-1-ium-1-yl)phenyl]methyl]-2-(thiolan-1-ium-1-yl)phenolate

Systemtic Name: 4-[[4-oxidanidyl-3-(thiolan-1-ium-1-yl)phenyl]methyl]-2-(thiolan-1-ium-1-yl)phenolate Openeye Name: 4-[(4-oxido-3-tetrahydrothiophen-1-ium-1-yl-phenyl)methyl]-2-tetrahydrothiophen-1-ium-1-yl-phenolate CAS Name: 4-[[4-oxido-3-(1-thiolan-1-iumyl)phenyl]methyl]-2-(1-thiolan-1-iumyl)phenolate IUPAC Name: 4-[[4-oxido-3-(thiolan-1-ium-1-yl)phenyl]methyl]-2-(thiolan-1-ium-1-yl)phenolate Traditional Name: 4-(4-oxido-3-tetrahydrothiophen-1-ium-1-yl-benzyl)-2-tetrahydrothiophen-1-ium-1-yl-phenolate Formula: C21H24O2S2 MolecularWeight: 372.54406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)C2=C(C=CC(=C2)CC3=CC(=C(C=C3)[O-])[S+]4CCCC4)[O-]

Isomeric SMILES

C1CC[S+](C1)C2=C(C=CC(=C2)CC3=CC(=C(C=C3)[O-])[S+]4CCCC4)[O-]

InChI

InChI=1S/C21H24O2S2/c22-18-7-5-16(14-20(18)24-9-1-2-10-24)13-17-6-8-19(23)21(15-17)25-11-3-4-12-25/h5-8,14-15H,1-4,9-13H2