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

Systemtic Name: 3,3,6,6-tetramethyl-9-(phenylmethylsulfanyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Openeye Name: 9-benzylsulfanyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione CAS Name: 3,3,6,6-tetramethyl-9-(phenylmethylthio)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione IUPAC Name: 9-benzylsulfanyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione Traditional Name: 9-(benzylthio)-3,3,6,6-tetramethyl-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)SCC4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)SCC4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C24H28O3S/c1-23(2)10-16(25)20-18(12-23)27-19-13-24(3,4)11-17(26)21(19)22(20)28-14-15-8-6-5-7-9-15/h5-9,22H,10-14H2,1-4H3