ethyl (E,4S,5S,6S)-6-methyl-4,5-bis(oxidanyl)-11-phenylmethoxy-undec-2-enoate

Systemtic Name: ethyl (E,4S,5S,6S)-6-methyl-4,5-bis(oxidanyl)-11-phenylmethoxy-undec-2-enoate Openeye Name: ethyl (E,4S,5S,6S)-11-benzyloxy-4,5-dihydroxy-6-methyl-undec-2-enoate CAS Name: (E,4S,5S,6S)-4,5-dihydroxy-6-methyl-11-phenylmethoxy-2-undecenoic acid ethyl ester IUPAC Name: ethyl (E,4S,5S,6S)-4,5-dihydroxy-6-methyl-11-phenylmethoxyundec-2-enoate Traditional Name: (E,4S,5S,6S)-11-benzoxy-4,5-dihydroxy-6-methyl-undec-2-enoic acid ethyl ester Formula: C21H32O5 MolecularWeight: 364.47578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C(C(C)CCCCCOCC1=CC=CC=C1)O)O

Isomeric SMILES

CCOC(=O)/C=C/[C@@H]([C@H]([C@@H](C)CCCCCOCC1=CC=CC=C1)O)O

InChI

InChI=1S/C21H32O5/c1-3-26-20(23)14-13-19(22)21(24)17(2)10-6-5-9-15-25-16-18-11-7-4-8-12-18/h4,7-8,11-14,17,19,21-22,24H,3,5-6,9-10,15-16H2,1-2H3/b14-13+/t17-,19-,21-/m0/s1