O14-methyl O1-(phenylmethyl) (2S,3S)-2-(hydroxymethyl)-3-oxidanyl-tetradecanedioate

Systemtic Name: O14-methyl O1-(phenylmethyl) (2S,3S)-2-(hydroxymethyl)-3-oxidanyl-tetradecanedioate Openeye Name: O1-benzyl O14-methyl (2S,3S)-3-hydroxy-2-(hydroxymethyl)tetradecanedioate CAS Name: (2S,3S)-3-hydroxy-2-(hydroxymethyl)tetradecanedioic acid O14-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 14-O-methyl (2S,3S)-3-hydroxy-2-(hydroxymethyl)tetradecanedioate Traditional Name: (2S,3S)-3-hydroxy-2-methylol-tetradecanedioic acid O1-benzyl ester O14-methyl ester Formula: C23H36O6 MolecularWeight: 408.52834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCC(C(CO)C(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

COC(=O)CCCCCCCCCC[C@@H]([C@H](CO)C(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C23H36O6/c1-28-22(26)16-12-7-5-3-2-4-6-11-15-21(25)20(17-24)23(27)29-18-19-13-9-8-10-14-19/h8-10,13-14,20-21,24-25H,2-7,11-12,15-18H2,1H3/t20-,21-/m0/s1