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

Systemtic Name: 1-[(3S,4R,5S)-2-oxidanyl-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]propan-1-one Openeye Name: 1-[(3S,4R,5S)-3,4,5-tribenzyloxy-2-hydroxy-cyclohexen-1-yl]propan-1-one CAS Name: 1-[(3S,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)-1-cyclohexenyl]-1-propanone IUPAC Name: 1-[(3S,4R,5S)-2-hydroxy-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]propan-1-one Traditional Name: 1-[(3S,4R,5S)-3,4,5-tribenzoxy-2-hydroxy-cyclohexen-1-yl]propan-1-one Formula: C30H32O5 MolecularWeight: 472.57208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=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/C30H32O5/c1-2-26(31)25-18-27(33-19-22-12-6-3-7-13-22)29(34-20-23-14-8-4-9-15-23)30(28(25)32)35-21-24-16-10-5-11-17-24/h3-17,27,29-30,32H,2,18-21H2,1H3/t27-,29+,30+/m0/s1