(3S,4S)-3-[(E)-hex-2-enyl]-4-[(2S)-2-phenylmethoxytridecyl]oxetan-2-one

Systemtic Name: (3S,4S)-3-[(E)-hex-2-enyl]-4-[(2S)-2-phenylmethoxytridecyl]oxetan-2-one Openeye Name: (3S,4S)-4-[(2S)-2-benzyloxytridecyl]-3-[(E)-hex-2-enyl]oxetan-2-one CAS Name: (3S,4S)-3-[(E)-hex-2-enyl]-4-[(2S)-2-phenylmethoxytridecyl]-2-oxetanone IUPAC Name: (3S,4S)-3-[(E)-hex-2-enyl]-4-[(2S)-2-phenylmethoxytridecyl]oxetan-2-one Traditional Name: (3S,4S)-4-[(2S)-2-benzoxytridecyl]-3-[(E)-hex-2-enyl]oxetan-2-one Formula: C29H46O3 MolecularWeight: 442.67374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(C(=O)O1)CC=CCCC)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)C/C=C/CCC)OCC2=CC=CC=C2

InChI

InChI=1S/C29H46O3/c1-3-5-7-9-10-11-12-13-17-21-26(31-24-25-19-15-14-16-20-25)23-28-27(29(30)32-28)22-18-8-6-4-2/h8,14-16,18-20,26-28H,3-7,9-13,17,21-24H2,1-2H3/b18-8+/t26-,27-,28-/m0/s1