methyl (E,5R,6S,7S)-7-acetyloxy-8-bromanyl-5-methoxy-6-phenylmethoxy-oct-2-enoate

Systemtic Name: methyl (E,5R,6S,7S)-7-acetyloxy-8-bromanyl-5-methoxy-6-phenylmethoxy-oct-2-enoate Openeye Name: methyl (E,5R,6S,7S)-7-acetoxy-6-benzyloxy-8-bromo-5-methoxy-oct-2-enoate CAS Name: (E,5R,6S,7S)-7-acetyloxy-8-bromo-5-methoxy-6-phenylmethoxy-2-octenoic acid methyl ester IUPAC Name: methyl (E,5R,6S,7S)-7-acetyloxy-8-bromo-5-methoxy-6-phenylmethoxyoct-2-enoate Traditional Name: (E,5R,6S,7S)-7-acetoxy-6-benzoxy-8-bromo-5-methoxy-oct-2-enoic acid methyl ester Formula: C19H25BrO6 MolecularWeight: 429.3022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CBr)C(C(CC=CC(=O)OC)OC)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)O[C@H](CBr)[C@H]([C@@H](C/C=C/C(=O)OC)OC)OCC1=CC=CC=C1

InChI

InChI=1S/C19H25BrO6/c1-14(21)26-17(12-20)19(25-13-15-8-5-4-6-9-15)16(23-2)10-7-11-18(22)24-3/h4-9,11,16-17,19H,10,12-13H2,1-3H3/b11-7+/t16-,17-,19+/m1/s1