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

Systemtic Name: 3,3,6,6-tetramethyl-9-thiophen-3-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 3,3,6,6-tetramethyl-9-(3-thienyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 3,3,6,6-tetramethyl-9-(3-thiophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 3,3,6,6-tetramethyl-9-thiophen-3-yl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 3,3,6,6-tetramethyl-9-(3-thienyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C21H24O3S MolecularWeight: 356.47846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O3S/c1-20(2)7-13(22)18-15(9-20)24-16-10-21(3,4)8-14(23)19(16)17(18)12-5-6-25-11-12/h5-6,11,17H,7-10H2,1-4H3