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

Systemtic Name: 3,3,6,6-tetramethyl-9-(5-nitrothiophen-2-yl)-4,7,8a,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 3,3,6,6-tetramethyl-9-(5-nitro-2-thienyl)-4,7,8a,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 3,3,6,6-tetramethyl-9-(5-nitro-2-thiophenyl)-4,7,8a,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 3,3,6,6-tetramethyl-9-(5-nitrothiophen-2-yl)-4,7,8a,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 3,3,6,6-tetramethyl-9-(5-nitro-2-thienyl)-4,7,8a,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3C(=O)CC(C=C3O2)(C)C)C4=CC=C(S4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3C(=O)CC(C=C3O2)(C)C)C4=CC=C(S4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C21H23NO5S/c1-20(2)7-11(23)17-13(9-20)27-14-10-21(3,4)8-12(24)18(14)19(17)15-5-6-16(28-15)22(25)26/h5-6,9,17,19H,7-8,10H2,1-4H3