1-[(2S,3R,5S)-3-hexyl-5-phenyl-oxolan-2-yl]tridecan-2-one

Systemtic Name: 1-[(2S,3R,5S)-3-hexyl-5-phenyl-oxolan-2-yl]tridecan-2-one Openeye Name: 1-[(2S,3R,5S)-3-hexyl-5-phenyl-tetrahydrofuran-2-yl]tridecan-2-one CAS Name: 1-[(2S,3R,5S)-3-hexyl-5-phenyl-2-oxolanyl]-2-tridecanone IUPAC Name: 1-[(2S,3R,5S)-3-hexyl-5-phenyloxolan-2-yl]tridecan-2-one Traditional Name: 1-[(2S,3R,5S)-3-hexyl-5-phenyl-tetrahydrofuran-2-yl]tridecan-2-one Formula: C29H48O2 MolecularWeight: 428.69022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)CC1C(CC(O1)C2=CC=CC=C2)CCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)C[C@H]1[C@@H](C[C@H](O1)C2=CC=CC=C2)CCCCCC

InChI

InChI=1S/C29H48O2/c1-3-5-7-9-10-11-12-13-18-22-27(30)24-29-26(21-15-8-6-4-2)23-28(31-29)25-19-16-14-17-20-25/h14,16-17,19-20,26,28-29H,3-13,15,18,21-24H2,1-2H3/t26-,28+,29+/m1/s1