methyl (4S,5R)-4-(2-bromanylprop-2-enoxy)-6-methyl-5-phenylmethoxy-hept-6-en-2-ynoate

Systemtic Name: methyl (4S,5R)-4-(2-bromanylprop-2-enoxy)-6-methyl-5-phenylmethoxy-hept-6-en-2-ynoate Openeye Name: methyl (4S,5R)-5-benzyloxy-4-(2-bromoallyloxy)-6-methyl-hept-6-en-2-ynoate CAS Name: (4S,5R)-4-(2-bromoprop-2-enoxy)-6-methyl-5-phenylmethoxyhept-6-en-2-ynoic acid methyl ester IUPAC Name: methyl (4S,5R)-4-(2-bromoprop-2-enoxy)-6-methyl-5-phenylmethoxyhept-6-en-2-ynoate Traditional Name: (4S,5R)-5-benzoxy-4-(2-bromoallyloxy)-6-methyl-hept-6-en-2-ynoic acid methyl ester Formula: C19H21BrO4 MolecularWeight: 393.27164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(C#CC(=O)OC)OCC(=C)Br)OCC1=CC=CC=C1

Isomeric SMILES

CC(=C)[C@H]([C@H](C#CC(=O)OC)OCC(=C)Br)OCC1=CC=CC=C1

InChI

InChI=1S/C19H21BrO4/c1-14(2)19(24-13-16-8-6-5-7-9-16)17(23-12-15(3)20)10-11-18(21)22-4/h5-9,17,19H,1,3,12-13H2,2,4H3/t17-,19+/m0/s1