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

Systemtic Name: 3,3,6,6-tetramethyl-9-(4-methylsulfanylphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 3,3,6,6-tetramethyl-9-(4-methylsulfanylphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 3,3,6,6-tetramethyl-9-[4-(methylthio)phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 3,3,6,6-tetramethyl-9-(4-methylsulfanylphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 3,3,6,6-tetramethyl-9-[4-(methylthio)phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-quinone Formula: C24H28O3S MolecularWeight: 396.54232

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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(C=C4)SC)C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28O3S/c1-23(2)10-16(25)21-18(12-23)27-19-13-24(3,4)11-17(26)22(19)20(21)14-6-8-15(28-5)9-7-14/h6-9,20H,10-13H2,1-5H3