2-[(4-methylphenyl)methyl]-3-(oxan-2-yloxy)pyran-4-one

Systemtic Name: 2-[(4-methylphenyl)methyl]-3-(oxan-2-yloxy)pyran-4-one Openeye Name: 2-(p-tolylmethyl)-3-tetrahydropyran-2-yloxy-pyran-4-one CAS Name: 2-[(4-methylphenyl)methyl]-3-(2-oxanyloxy)-4-pyranone IUPAC Name: 2-[(4-methylphenyl)methyl]-3-(oxan-2-yloxy)pyran-4-one Traditional Name: 2-(4-methylbenzyl)-3-tetrahydropyran-2-yloxy-pyran-4-one Formula: C18H20O4 MolecularWeight: 300.349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(C(=O)C=CO2)OC3CCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(C(=O)C=CO2)OC3CCCCO3

InChI

InChI=1S/C18H20O4/c1-13-5-7-14(8-6-13)12-16-18(15(19)9-11-20-16)22-17-4-2-3-10-21-17/h5-9,11,17H,2-4,10,12H2,1H3