methyl (2S,3S,5R)-5-methyl-3-phenyl-1,4-dioxepane-2-carboxylate

Systemtic Name: methyl (2S,3S,5R)-5-methyl-3-phenyl-1,4-dioxepane-2-carboxylate Openeye Name: methyl (2S,3S,5R)-5-methyl-3-phenyl-1,4-dioxepane-2-carboxylate CAS Name: (2S,3S,5R)-5-methyl-3-phenyl-1,4-dioxepane-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S,5R)-5-methyl-3-phenyl-1,4-dioxepane-2-carboxylate Traditional Name: (2S,3S,5R)-5-methyl-3-phenyl-1,4-dioxepane-2-carboxylic acid methyl ester Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCOC(C(O1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C[C@@H]1CCO[C@@H]([C@@H](O1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H18O4/c1-10-8-9-17-13(14(15)16-2)12(18-10)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10-,12+,13+/m1/s1