(4S,5S,6R)-2-methyl-5-oxidanyl-4,6-bis(phenylmethoxy)cyclohex-2-en-1-one

Systemtic Name: (4S,5S,6R)-2-methyl-5-oxidanyl-4,6-bis(phenylmethoxy)cyclohex-2-en-1-one Openeye Name: (4S,5S,6R)-4,6-dibenzyloxy-5-hydroxy-2-methyl-cyclohex-2-en-1-one CAS Name: (4S,5S,6R)-5-hydroxy-2-methyl-4,6-bis(phenylmethoxy)-1-cyclohex-2-enone IUPAC Name: (4S,5S,6R)-5-hydroxy-2-methyl-4,6-bis(phenylmethoxy)cyclohex-2-en-1-one Traditional Name: (4S,5S,6R)-4,6-dibenzoxy-5-hydroxy-2-methyl-cyclohex-2-en-1-one Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(C1=O)OCC2=CC=CC=C2)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C[C@@H]([C@@H]([C@H](C1=O)OCC2=CC=CC=C2)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22O4/c1-15-12-18(24-13-16-8-4-2-5-9-16)20(23)21(19(15)22)25-14-17-10-6-3-7-11-17/h2-12,18,20-21,23H,13-14H2,1H3/t18-,20-,21-/m0/s1