4-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]benzoic acid

Systemtic Name: 4-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]benzoic acid Openeye Name: 4-(9,10,10-trioxothioxanthen-3-yl)benzoic acid CAS Name: 4-(9,10,10-trioxo-3-thioxanthenyl)benzoic acid IUPAC Name: 4-(9,10,10-trioxothioxanthen-3-yl)benzoic acid Traditional Name: 4-(9,10,10-triketothioxanthen-3-yl)benzoic acid Formula: C20H12O5S MolecularWeight: 364.37128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H12O5S/c21-19-15-3-1-2-4-17(15)26(24,25)18-11-14(9-10-16(18)19)12-5-7-13(8-6-12)20(22)23/h1-11H,(H,22,23)