2-(9,9a-dihydro-4aH-xanthen-9-yl)-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-(9,9a-dihydro-4aH-xanthen-9-yl)-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(9,9a-dihydro-4aH-xanthen-9-yl)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-(9,9a-dihydro-4aH-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(9,9a-dihydro-4aH-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(9,9a-dihydro-4aH-xanthen-9-yl)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C2C3C=CC=CC3OC4=CC=CC=C24)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C2C3C=CC=CC3OC4=CC=CC=C24)C

InChI

InChI=1S/C21H22O3/c1-21(2)11-15(22)20(16(23)12-21)19-13-7-3-5-9-17(13)24-18-10-6-4-8-14(18)19/h3-10,13,17,19-20H,11-12H2,1-2H3