[4-[[(2S,3S)-3-propyloxiran-2-yl]methoxy]phenyl] 4-decoxybenzoate

Systemtic Name: [4-[[(2S,3S)-3-propyloxiran-2-yl]methoxy]phenyl] 4-decoxybenzoate Openeye Name: [4-[[(2S,3S)-3-propyloxiran-2-yl]methoxy]phenyl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [4-[[(2S,3S)-3-propyl-2-oxiranyl]methoxy]phenyl] ester IUPAC Name: [4-[[(2S,3S)-3-propyloxiran-2-yl]methoxy]phenyl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [4-[[(2S,3S)-3-propyloxiran-2-yl]methoxy]phenyl] ester Formula: C29H40O5 MolecularWeight: 468.6249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC3C(O3)CCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC[C@H]3[C@@H](O3)CCC

InChI

InChI=1S/C29H40O5/c1-3-5-6-7-8-9-10-11-21-31-24-15-13-23(14-16-24)29(30)33-26-19-17-25(18-20-26)32-22-28-27(34-28)12-4-2/h13-20,27-28H,3-12,21-22H2,1-2H3/t27-,28-/m0/s1