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

Systemtic Name: 3,3,6,6-tetramethyl-9-pyridin-4-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 3,3,6,6-tetramethyl-9-(4-pyridyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 3,3,6,6-tetramethyl-9-pyridin-4-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 3,3,6,6-tetramethyl-9-pyridin-4-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 3,3,6,6-tetramethyl-9-(4-pyridyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=NC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=NC=C4)C(=O)C1)C

InChI

InChI=1S/C22H25NO3/c1-21(2)9-14(24)19-16(11-21)26-17-12-22(3,4)10-15(25)20(17)18(19)13-5-7-23-8-6-13/h5-8,18H,9-12H2,1-4H3