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(E)-dodec-2-enedioic acid; hexadecyl(trimethyl)azanium

(E)-dodec-2-enedioic acid; hexadecyl(trimethyl)azanium

Systemtic Name:(E)-dodec-2-enedioic acid; hexadecyl(trimethyl)azanium
Openeye Name:(E)-dodec-2-enedioic acid; hexadecyl(trimethyl)ammonium
CAS Name:(E)-2-dodecenedioic acid; hexadecyl(trimethyl)ammonium
IUPAC Name:(E)-dodec-2-enedioic acid; hexadecyl(trimethyl)azanium
Traditional Name:cetyl(trimethyl)ammonium; (E)-dodec-2-enedioic acid
Formula: C31H62NO4+
MolecularWeight: 512.82828
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.C(CCCCC(=O)O)CCCC=CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.C(CCCCC(=O)O)CCC/C=C/C(=O)O


InChI

InChI=1S/C19H42N.C12H20O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h5-19H2,1-4H3;7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/q+1;/b;9-7+


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