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

Systemtic Name: methyl (2S,3S)-3-phenyl-1,4-dioxepane-2-carboxylate Openeye Name: methyl (2S,3S)-3-phenyl-1,4-dioxepane-2-carboxylate CAS Name: (2S,3S)-3-phenyl-1,4-dioxepane-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-3-phenyl-1,4-dioxepane-2-carboxylate Traditional Name: (2S,3S)-3-phenyl-1,4-dioxepane-2-carboxylic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(OCCCO1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1[C@@H](OCCCO1)C2=CC=CC=C2

InChI

InChI=1S/C13H16O4/c1-15-13(14)12-11(16-8-5-9-17-12)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12-/m0/s1