methyl (2S,3S,4S)-4-(hydroxymethyl)-2,3-bis(phenylmethoxymethyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (2S,3S,4S)-4-(hydroxymethyl)-2,3-bis(phenylmethoxymethyl)cyclohexane-1-carboxylate Openeye Name: methyl (2S,3S,4S)-2,3-bis(benzyloxymethyl)-4-(hydroxymethyl)cyclohexanecarboxylate CAS Name: (2S,3S,4S)-4-(hydroxymethyl)-2,3-bis(phenylmethoxymethyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S)-4-(hydroxymethyl)-2,3-bis(phenylmethoxymethyl)cyclohexane-1-carboxylate Traditional Name: (2S,3S,4S)-2,3-bis(benzoxymethyl)-4-methylol-cyclohexanecarboxylic acid methyl ester Formula: C25H32O5 MolecularWeight: 412.51858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(C(C1COCC2=CC=CC=C2)COCC3=CC=CC=C3)CO

Isomeric SMILES

COC(=O)C1CC[C@@H]([C@@H]([C@@H]1COCC2=CC=CC=C2)COCC3=CC=CC=C3)CO

InChI

InChI=1S/C25H32O5/c1-28-25(27)22-13-12-21(14-26)23(17-29-15-19-8-4-2-5-9-19)24(22)18-30-16-20-10-6-3-7-11-20/h2-11,21-24,26H,12-18H2,1H3/t21-,22?,23+,24-/m1/s1