9-pyridin-4-yl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-pyridin-4-yl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Openeye Name: 9-(4-pyridyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione CAS Name: 9-pyridin-4-yl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione IUPAC Name: 9-pyridin-4-yl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione Traditional Name: 9-(4-pyridyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO3/c20-12-3-1-5-14-17(12)16(11-7-9-19-10-8-11)18-13(21)4-2-6-15(18)22-14/h7-10,16H,1-6H2