4-(4,6-diphenylthiopyrylium-2-yl)butanoic acid

Systemtic Name: 4-(4,6-diphenylthiopyrylium-2-yl)butanoic acid Openeye Name: 4-(4,6-diphenylthiopyrylium-2-yl)butanoic acid CAS Name: 4-(4,6-diphenyl-2-thiopyryliumyl)butanoic acid IUPAC Name: 4-(4,6-diphenylthiopyrylium-2-yl)butanoic acid Traditional Name: 4-(4,6-diphenylthiopyrylium-2-yl)butyric acid Formula: C21H19O2S+ MolecularWeight: 335.43936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[S+]C(=C2)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[S+]C(=C2)CCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H18O2S/c22-21(23)13-7-12-19-14-18(16-8-3-1-4-9-16)15-20(24-19)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/p+1