2,3-bis(oxidanyl)butanedioate; hexadecyl(trimethyl)azanium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; hexadecyl(trimethyl)azanium Openeye Name: 2,3-dihydroxybutanedioate; hexadecyl(trimethyl)ammonium CAS Name: 2,3-dihydroxybutanedioate; hexadecyl(trimethyl)ammonium IUPAC Name: 2,3-dihydroxybutanedioate; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium tartrate Formula: C42H88N2O6 MolecularWeight: 717.15792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H42N.C4H6O6/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;5-1(3(7)8)2(6)4(9)10/h2*5-19H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/q2*+1;/p-2