(9E,12E,15E)-octadeca-9,12,15-trienoate; tributylazanium

Systemtic Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; tributylazanium Openeye Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; tributylammonium CAS Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; tributylammonium IUPAC Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; tributylazanium Traditional Name: (9E,12E,15E)-octadeca-9,12,15-trienoate; tributylammonium Formula: C30H57NO2 MolecularWeight: 463.77908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.CCC=CCC=CCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C18H30O2.C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7-10-13(11-8-5-2)12-9-6-3/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);4-12H2,1-3H3/b4-3+,7-6+,10-9+;