[4-[2-(4-methyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethyl]phenyl] benzoate

Systemtic Name: [4-[2-(4-methyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethyl]phenyl] benzoate Openeye Name: [4-[2-(4-hydroxy-4-methyl-6-oxo-tetrahydropyran-2-yl)ethyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-(4-hydroxy-4-methyl-6-oxo-2-oxanyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(4-hydroxy-4-methyl-6-oxooxan-2-yl)ethyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-(4-hydroxy-6-keto-4-methyl-tetrahydropyran-2-yl)ethyl]phenyl] ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC(=O)C1)CCC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1(CC(OC(=O)C1)CCC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H22O5/c1-21(24)13-18(25-19(22)14-21)12-9-15-7-10-17(11-8-15)26-20(23)16-5-3-2-4-6-16/h2-8,10-11,18,24H,9,12-14H2,1H3