4-[3-(2-phenylethynyl)phenyl]sulfinylphthalic acid

Systemtic Name: 4-[3-(2-phenylethynyl)phenyl]sulfinylphthalic acid Openeye Name: 4-[3-(2-phenylethynyl)phenyl]sulfinylphthalic acid CAS Name: 4-[3-(2-phenylethynyl)phenyl]sulfinylphthalic acid IUPAC Name: 4-[3-(2-phenylethynyl)phenyl]sulfinylphthalic acid Traditional Name: 4-[3-(2-phenylethynyl)phenyl]sulfinylphthalic acid Formula: C22H14O5S MolecularWeight: 390.40856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)S(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)S(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H14O5S/c23-21(24)19-12-11-18(14-20(19)22(25)26)28(27)17-8-4-7-16(13-17)10-9-15-5-2-1-3-6-15/h1-8,11-14H,(H,23,24)(H,25,26)