methyl (E)-3-[(2R,3S)-3-oxidanyloxepan-2-yl]but-2-enoate

Systemtic Name: methyl (E)-3-[(2R,3S)-3-oxidanyloxepan-2-yl]but-2-enoate Openeye Name: methyl (E)-3-[(2R,3S)-3-hydroxyoxepan-2-yl]but-2-enoate CAS Name: (E)-3-[(2R,3S)-3-hydroxy-2-oxepanyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-[(2R,3S)-3-hydroxyoxepan-2-yl]but-2-enoate Traditional Name: (E)-3-[(2R,3S)-3-hydroxyoxepan-2-yl]but-2-enoic acid methyl ester Formula: C11H18O4 MolecularWeight: 214.25822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)C1C(CCCCO1)O

Isomeric SMILES

C/C(=C\C(=O)OC)/[C@@H]1[C@H](CCCCO1)O

InChI

InChI=1S/C11H18O4/c1-8(7-10(13)14-2)11-9(12)5-3-4-6-15-11/h7,9,11-12H,3-6H2,1-2H3/b8-7+/t9-,11+/m0/s1