(2S,3S,8R)-2,3,8-trimethoxy-8-phenyl-octanoate

Systemtic Name: (2S,3S,8R)-2,3,8-trimethoxy-8-phenyl-octanoate Openeye Name: (2S,3S,8R)-2,3,8-trimethoxy-8-phenyl-octanoate CAS Name: (2S,3S,8R)-2,3,8-trimethoxy-8-phenyloctanoate IUPAC Name: (2S,3S,8R)-2,3,8-trimethoxy-8-phenyloctanoate Traditional Name: (2S,3S,8R)-2,3,8-trimethoxy-8-phenyl-caprylate Formula: C17H25O5- MolecularWeight: 309.3774

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCCCC(C(C(=O)[O-])OC)OC)C1=CC=CC=C1

Isomeric SMILES

CO[C@H](CCCC[C@@H]([C@@H](C(=O)[O-])OC)OC)C1=CC=CC=C1

InChI

InChI=1S/C17H26O5/c1-20-14(13-9-5-4-6-10-13)11-7-8-12-15(21-2)16(22-3)17(18)19/h4-6,9-10,14-16H,7-8,11-12H2,1-3H3,(H,18,19)/p-1/t14-,15+,16+/m1/s1