(1,3-diphenylpyrazol-4-yl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C30H20N2O5S MolecularWeight: 520.5552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O)C6=CC=CC=C6

InChI

InChI=1S/C30H20N2O5S/c33-29-24-13-7-8-14-26(24)38(35,36)27-17-21(15-16-25(27)29)30(34)37-19-22-18-32(23-11-5-2-6-12-23)31-28(22)20-9-3-1-4-10-20/h1-18H,19H2