4-oxidanyl-2-(4-phenylthian-1-ium-1-yl)phenolate

Systemtic Name: 4-oxidanyl-2-(4-phenylthian-1-ium-1-yl)phenolate Openeye Name: 4-hydroxy-2-(4-phenyltetrahydrothiopyran-1-ium-1-yl)phenolate CAS Name: 4-hydroxy-2-(4-phenyl-1-thian-1-iumyl)phenolate IUPAC Name: 4-hydroxy-2-(4-phenylthian-1-ium-1-yl)phenolate Traditional Name: 4-hydroxy-2-(4-phenyltetrahydrothiopyran-1-ium-1-yl)phenolate Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

C1C[S+](CCC1C2=CC=CC=C2)C3=C(C=CC(=C3)O)[O-]

Isomeric SMILES

C1C[S+](CCC1C2=CC=CC=C2)C3=C(C=CC(=C3)O)[O-]

InChI

InChI=1S/C17H18O2S/c18-15-6-7-16(19)17(12-15)20-10-8-14(9-11-20)13-4-2-1-3-5-13/h1-7,12,14H,8-11H2,(H-,18,19)