1-[(3S,4R,5S)-2-oxidanyl-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethanone

Systemtic Name: 1-[(3S,4R,5S)-2-oxidanyl-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethanone Openeye Name: 1-[(3S,4R,5S)-3,4,5-tribenzyloxy-2-hydroxy-cyclohexen-1-yl]ethanone CAS Name: 1-[(3S,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-1-cyclohexenyl]ethanone IUPAC Name: 1-[(3S,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethanone Traditional Name: 1-[(3S,4R,5S)-3,4,5-tribenzoxy-2-hydroxy-cyclohexen-1-yl]ethanone Formula: C29H30O5 MolecularWeight: 458.5455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(C(C(C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

CC(=O)C1=C([C@H]([C@@H]([C@H](C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C29H30O5/c1-21(30)25-17-26(32-18-22-11-5-2-6-12-22)28(33-19-23-13-7-3-8-14-23)29(27(25)31)34-20-24-15-9-4-10-16-24/h2-16,26,28-29,31H,17-20H2,1H3/t26-,28+,29+/m0/s1