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

Systemtic Name: [(2R,3R,4R)-4-methanoyl-2-(4-methylphenyl)carbonyloxy-3-oxidanyl-4-phenylmethoxy-octyl] 4-methylbenzoate Openeye Name: [(2R,3R,4R)-4-benzyloxy-4-formyl-3-hydroxy-2-(4-methylbenzoyl)oxy-octyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R,4R)-4-formyl-3-hydroxy-2-[(4-methylphenyl)-oxomethoxy]-4-phenylmethoxyoctyl] ester IUPAC Name: [(2R,3R,4R)-4-formyl-3-hydroxy-2-(4-methylbenzoyl)oxy-4-phenylmethoxyoctyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R,4R)-4-benzoxy-4-formyl-3-hydroxy-2-p-toluoyloxy-octyl] ester Formula: C32H36O7 MolecularWeight: 532.62404

Click to see the large picture

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)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)O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H36O7/c1-4-5-19-32(22-33,38-20-25-9-7-6-8-10-25)29(34)28(39-31(36)27-17-13-24(3)14-18-27)21-37-30(35)26-15-11-23(2)12-16-26/h6-18,22,28-29,34H,4-5,19-21H2,1-3H3/t28-,29-,32+/m1/s1