9-(2-phenylethynyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-(2-phenylethynyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(2-phenylethynyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-(2-phenylethynyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(2-phenylethynyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(2-phenylethynyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C21H18O3 MolecularWeight: 318.36582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(O2)CCCC3=O)C#CC4=CC=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C3=C(O2)CCCC3=O)C#CC4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C21H18O3/c22-16-8-4-10-18-20(16)15(13-12-14-6-2-1-3-7-14)21-17(23)9-5-11-19(21)24-18/h1-3,6-7,15H,4-5,8-11H2