O8-methyl O1-(phenylmethyl) (2S,3R)-2-(hydroxymethyl)-3-oxidanyl-octanedioate

Systemtic Name: O8-methyl O1-(phenylmethyl) (2S,3R)-2-(hydroxymethyl)-3-oxidanyl-octanedioate Openeye Name: O1-benzyl O8-methyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)octanedioate CAS Name: (2S,3R)-3-hydroxy-2-(hydroxymethyl)octanedioic acid O8-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 8-O-methyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)octanedioate Traditional Name: (2S,3R)-3-hydroxy-2-methylol-suberic acid O1-benzyl ester O8-methyl ester Formula: C17H24O6 MolecularWeight: 324.36886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O6/c1-22-16(20)10-6-5-9-15(19)14(11-18)17(21)23-12-13-7-3-2-4-8-13/h2-4,7-8,14-15,18-19H,5-6,9-12H2,1H3/t14-,15+/m0/s1