[(E,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-oxidanyl-hept-2-enyl] benzoate

Systemtic Name: [(E,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-oxidanyl-hept-2-enyl] benzoate Openeye Name: [(E,5S,6S)-6-hydroxy-5-[(4-methoxyphenyl)methoxy]hept-2-enyl] benzoate CAS Name: benzoic acid [(E,5S,6S)-6-hydroxy-5-[(4-methoxyphenyl)methoxy]hept-2-enyl] ester IUPAC Name: [(E,5S,6S)-6-hydroxy-5-[(4-methoxyphenyl)methoxy]hept-2-enyl] benzoate Traditional Name: benzoic acid [(E,5S,6S)-6-hydroxy-5-p-anisyloxy-hept-2-enyl] ester Formula: C22H26O5 MolecularWeight: 370.43884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=CCOC(=O)C1=CC=CC=C1)OCC2=CC=C(C=C2)OC)O

Isomeric SMILES

C[C@@H]([C@H](C/C=C/COC(=O)C1=CC=CC=C1)OCC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C22H26O5/c1-17(23)21(27-16-18-11-13-20(25-2)14-12-18)10-6-7-15-26-22(24)19-8-4-3-5-9-19/h3-9,11-14,17,21,23H,10,15-16H2,1-2H3/b7-6+/t17-,21-/m0/s1