[(4S,5S)-5-phenylmethoxyundec-1-en-4-yl] (4R,5R)-4,5-bis(phenylmethoxy)hept-6-enoate

Systemtic Name: [(4S,5S)-5-phenylmethoxyundec-1-en-4-yl] (4R,5R)-4,5-bis(phenylmethoxy)hept-6-enoate Openeye Name: [(1S,2S)-1-allyl-2-benzyloxy-octyl] (4R,5R)-4,5-dibenzyloxyhept-6-enoate CAS Name: (4R,5R)-4,5-bis(phenylmethoxy)-6-heptenoic acid [(4S,5S)-5-phenylmethoxyundec-1-en-4-yl] ester IUPAC Name: [(4S,5S)-5-phenylmethoxyundec-1-en-4-yl] (4R,5R)-4,5-bis(phenylmethoxy)hept-6-enoate Traditional Name: (4R,5R)-4,5-dibenzoxyhept-6-enoic acid [(1S)-1-[(1S)-1-benzoxyheptyl]but-3-enyl] ester Formula: C39H50O5 MolecularWeight: 598.8113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CC=C)OC(=O)CCC(C(C=C)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCC[C@@H]([C@H](CC=C)OC(=O)CC[C@H]([C@@H](C=C)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C39H50O5/c1-4-7-8-18-26-36(42-30-33-22-14-10-15-23-33)38(19-5-2)44-39(40)28-27-37(43-31-34-24-16-11-17-25-34)35(6-3)41-29-32-20-12-9-13-21-32/h5-6,9-17,20-25,35-38H,2-4,7-8,18-19,26-31H2,1H3/t35-,36+,37-,38+/m1/s1