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

Systemtic Name: 9-(5-bromanylthiophen-2-yl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-(5-bromo-2-thienyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 9-(5-bromo-2-thiophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-(5-bromothiophen-2-yl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(5-bromo-2-thienyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C21H23BrO3S MolecularWeight: 435.37452

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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(S4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(S4)Br)C(=O)C1)C

InChI

InChI=1S/C21H23BrO3S/c1-20(2)7-11(23)17-13(9-20)25-14-10-21(3,4)8-12(24)18(14)19(17)15-5-6-16(22)26-15/h5-6,19H,7-10H2,1-4H3