9-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

Systemtic Name: 9-[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-[5-(2-chloro-4-nitrophenyl)-2-furanyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-[5-(2-chloro-4-nitro-phenyl)-2-furyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C27H26ClNO6 MolecularWeight: 495.95144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(O4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(O4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)C(=O)C1)C

InChI

InChI=1S/C27H26ClNO6/c1-26(2)10-17(30)23-21(12-26)35-22-13-27(3,4)11-18(31)24(22)25(23)20-8-7-19(34-20)15-6-5-14(29(32)33)9-16(15)28/h5-9,25H,10-13H2,1-4H3