hexadecyl(trimethyl)azanium; phthalate

Systemtic Name: hexadecyl(trimethyl)azanium; phthalate Openeye Name: hexadecyl(trimethyl)ammonium; phthalate CAS Name: hexadecyl(trimethyl)ammonium; phthalate IUPAC Name: hexadecyl(trimethyl)azanium; phthalate Traditional Name: cetyl(trimethyl)ammonium; phthalate Formula: C46H88N2O4 MolecularWeight: 733.20192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C19H42N.C8H6O4/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*5-19H2,1-4H3;1-4H,(H,9,10)(H,11,12)/q2*+1;/p-2