3,3,6,6-tetramethyl-9-(5-methyl-4-nitro-thiophen-2-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

Systemtic Name: 3,3,6,6-tetramethyl-9-(5-methyl-4-nitro-thiophen-2-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 3,3,6,6-tetramethyl-9-(5-methyl-4-nitro-2-thienyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 3,3,6,6-tetramethyl-9-(5-methyl-4-nitro-2-thiophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 3,3,6,6-tetramethyl-9-(5-methyl-4-nitrothiophen-2-yl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 3,3,6,6-tetramethyl-9-(5-methyl-4-nitro-2-thienyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25NO5S/c1-11-12(23(26)27)6-17(29-11)20-18-13(24)7-21(2,3)9-15(18)28-16-10-22(4,5)8-14(25)19(16)20/h6,20H,7-10H2,1-5H3