[(2R,3R,4R)-4-methanoyl-3-methanoyloxy-2-(4-methylphenyl)carbonyloxy-4-phenylmethoxy-octyl] 4-methylbenzoate

Systemtic Name: [(2R,3R,4R)-4-methanoyl-3-methanoyloxy-2-(4-methylphenyl)carbonyloxy-4-phenylmethoxy-octyl] 4-methylbenzoate Openeye Name: [(2R,3R,4R)-4-benzyloxy-4-formyl-3-formyloxy-2-(4-methylbenzoyl)oxy-octyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R,4R)-4-formyl-3-formyloxy-2-[(4-methylphenyl)-oxomethoxy]-4-phenylmethoxyoctyl] ester IUPAC Name: [(2R,3R,4R)-4-formyl-3-formyloxy-2-(4-methylbenzoyl)oxy-4-phenylmethoxyoctyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R,4R)-4-benzoxy-4-formyl-3-formyloxy-2-p-toluoyloxy-octyl] ester Formula: C33H36O8 MolecularWeight: 560.63414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=O)(C(C(COC(=O)C1=CC=C(C=C1)C)OC(=O)C2=CC=C(C=C2)C)OC=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC[C@](C=O)([C@@H]([C@@H](COC(=O)C1=CC=C(C=C1)C)OC(=O)C2=CC=C(C=C2)C)OC=O)OCC3=CC=CC=C3

InChI

InChI=1S/C33H36O8/c1-4-5-19-33(22-34,40-20-26-9-7-6-8-10-26)30(39-23-35)29(41-32(37)28-17-13-25(3)14-18-28)21-38-31(36)27-15-11-24(2)12-16-27/h6-18,22-23,29-30H,4-5,19-21H2,1-3H3/t29-,30-,33+/m1/s1