(3-chloranyl-2-oxidanyl-propyl) 2-butyloctanoate; trimethylazanium

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl) 2-butyloctanoate; trimethylazanium Openeye Name: (3-chloro-2-hydroxy-propyl) 2-butyloctanoate; trimethylammonium CAS Name: 2-butyloctanoic acid (3-chloro-2-hydroxypropyl) ester; trimethylammonium IUPAC Name: (3-chloro-2-hydroxypropyl) 2-butyloctanoate; trimethylazanium Traditional Name: 2-butylcaprylic acid (3-chloro-2-hydroxy-propyl) ester; trimethylammonium Formula: C18H39ClNO3+ MolecularWeight: 352.96016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)C(=O)OCC(CCl)O.C[NH+](C)C

Isomeric SMILES

CCCCCCC(CCCC)C(=O)OCC(CCl)O.C[NH+](C)C

InChI

InChI=1S/C15H29ClO3.C3H9N/c1-3-5-7-8-10-13(9-6-4-2)15(18)19-12-14(17)11-16;1-4(2)3/h13-14,17H,3-12H2,1-2H3;1-3H3/p+1