[(1S)-1-[(2S,5R)-5-[(E,1R)-1-(methoxymethoxy)undec-2-enyl]oxolan-2-yl]-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S)-1-[(2S,5R)-5-[(E,1R)-1-(methoxymethoxy)undec-2-enyl]oxolan-2-yl]-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(1S)-4-benzyloxy-1-[(2S,5R)-5-[(E,1R)-1-(methoxymethoxy)undec-2-enyl]tetrahydrofuran-2-yl]butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S)-1-[(2S,5R)-5-[(E,1R)-1-(methoxymethoxy)undec-2-enyl]-2-oxolanyl]-4-phenylmethoxybutyl] ester IUPAC Name: [(1S)-1-[(2S,5R)-5-[(E,1R)-1-(methoxymethoxy)undec-2-enyl]oxolan-2-yl]-4-phenylmethoxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-4-benzoxy-1-[(2S,5R)-5-[(E,1R)-1-(methoxymethoxy)undec-2-enyl]tetrahydrofuran-2-yl]butyl] ester Formula: C35H52O7S MolecularWeight: 616.84818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(C1CCC(O1)C(CCCOCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OCOC

Isomeric SMILES

CCCCCCCC/C=C/[C@H]([C@H]1CC[C@H](O1)[C@H](CCCOCC2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OCOC

InChI

InChI=1S/C35H52O7S/c1-4-5-6-7-8-9-10-14-18-32(40-28-38-3)33-24-25-34(41-33)35(19-15-26-39-27-30-16-12-11-13-17-30)42-43(36,37)31-22-20-29(2)21-23-31/h11-14,16-18,20-23,32-35H,4-10,15,19,24-28H2,1-3H3/b18-14+/t32-,33-,34+,35+/m1/s1