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

Systemtic Name: triethylazanium; (2S,3S,8R)-2,3,8-trimethoxy-8-phenyl-octanoate Openeye Name: triethylammonium; (2S,3S,8R)-2,3,8-trimethoxy-8-phenyl-octanoate CAS Name: triethylammonium; (2S,3S,8R)-2,3,8-trimethoxy-8-phenyloctanoate IUPAC Name: triethylazanium; (2S,3S,8R)-2,3,8-trimethoxy-8-phenyloctanoate Traditional Name: triethylammonium; (2S,3S,8R)-2,3,8-trimethoxy-8-phenyl-caprylate Formula: C23H41NO5 MolecularWeight: 411.57534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O5.C6H15N/c1-20-14(13-9-5-4-6-10-13)11-7-8-12-15(21-2)16(22-3)17(18)19;1-4-7(5-2)6-3/h4-6,9-10,14-16H,7-8,11-12H2,1-3H3,(H,18,19);4-6H2,1-3H3/t14-,15+,16+;/m1./s1