MLS003116000

3,3,6,6-tetramethyl-9-(3-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

Also Known As: CBMicro_011327|ChemDiv1_010859|HMS617N13|BIM-0011214.P001|J2.162.140D|AG-205/09848036|SR-01000197003-1|3,3,6,6-tetramethyl-9-(3-nitrophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione|3,3,6,6-TETRAMETHYL-9-(3-NITROPHENYL)-2,3,4,5,6,7,8,9-OCTAHYDRO-1H-XANTHENE-1,8-DIONE|2,3,4,5,6,7-Hexahydro-3,3,6,6-tetramethyl-9-(3-nitrophenyl)-9H-xanthene-1,8-dione|3,3,6,6-tetramethyl-9-(3-nitrophenyl)-4,5,7,9-tetrahydro-2H-|3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,6,7-tetrahydro-2H-xanthene-1, 8(5H,9H)-dione|3,3,6,6-Tetramethyl-9-(3-nitrophenyl)-1,2,3,4,5,6,7,8-octahydro-9H-xanthene-1,8-dione|3,3,6,6-Tetramethyl-9-(3-nitrophenyl)-2,3,4,5,6,7-hexahydro-9H-xanthene-1,8-dione|3,3,6,6-Tetramethyl-9-(3-nitrophenyl)-3,4,5,6-tetrahydro-9H-xanthene-1,8(2H,7H)-dione|3,3,6,6-tetramethyl-9-(3-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione|9-(3-nitrophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione|9-(3-Nitrophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7-hexahydro-1H-xanthene-1,8(9H)-dione|9-(3-Nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro-9H-xanthene-1(2H),8(7H)-dione|9-(3-Nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro-9H-xanthene-1,8(2H,7H)-dione|9-{3-nitrophenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Molecular Formula	C23H25NO5
Molecular Weight	395.17328 g/mol
LogP	3.8
Topological Polar Surface Area	89.2 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	395.17328
Monoisotopic Mass	395.17328
Heavy Atoms	29
Complexity	790.0

Chemical Identifiers

CAS Number	40588-50-9
SMILES	CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C
InChIKey	FKQZCAOBKRTYCO-UHFFFAOYSA-N