4a-[(4-methylphenyl)methyl]-9-oxidanyl-3,4-dihydro-2H-xanthen-1-one

Systemtic Name: 4a-[(4-methylphenyl)methyl]-9-oxidanyl-3,4-dihydro-2H-xanthen-1-one Openeye Name: 9-hydroxy-4a-(p-tolylmethyl)-3,4-dihydro-2H-xanthen-1-one CAS Name: 9-hydroxy-4a-[(4-methylphenyl)methyl]-3,4-dihydro-2H-xanthen-1-one IUPAC Name: 9-hydroxy-4a-[(4-methylphenyl)methyl]-3,4-dihydro-2H-xanthen-1-one Traditional Name: 9-hydroxy-4a-(4-methylbenzyl)-3,4-dihydro-2H-xanthen-1-one Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC23CCCC(=O)C2=C(C4=CC=CC=C4O3)O

Isomeric SMILES

CC1=CC=C(C=C1)CC23CCCC(=O)C2=C(C4=CC=CC=C4O3)O

InChI

InChI=1S/C21H20O3/c1-14-8-10-15(11-9-14)13-21-12-4-6-17(22)19(21)20(23)16-5-2-3-7-18(16)24-21/h2-3,5,7-11,23H,4,6,12-13H2,1H3