6-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-4-methyl-4-oxidanyl-oxan-2-one

Systemtic Name: 6-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-4-methyl-4-oxidanyl-oxan-2-one Openeye Name: 4-hydroxy-6-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-4-methyl-tetrahydropyran-2-one CAS Name: 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyl-2-oxanone IUPAC Name: 4-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-4-methyloxan-2-one Traditional Name: 6-homovanillyl-4-hydroxy-4-methyl-tetrahydropyran-2-one Formula: C15H20O5 MolecularWeight: 280.3163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O5/c1-15(18)8-11(20-14(17)9-15)5-3-10-4-6-12(16)13(7-10)19-2/h4,6-7,11,16,18H,3,5,8-9H2,1-2H3