(Z)-but-2-enedioic acid; 2-dimethylaminoethyl hexadecanoate

Systemtic Name: (Z)-but-2-enedioic acid; 2-dimethylaminoethyl hexadecanoate Openeye Name: 2-dimethylaminoethyl hexadecanoate; maleic acid CAS Name: (Z)-2-butenedioic acid; hexadecanoic acid 2-dimethylaminoethyl ester IUPAC Name: (Z)-but-2-enedioic acid; 2-dimethylaminoethyl hexadecanoate Traditional Name: maleic acid; palmitic acid 2-dimethylaminoethyl ester Formula: C24H45NO6 MolecularWeight: 443.6172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCN(C)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C20H41NO2.C4H4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21(2)3;5-3(6)1-2-4(7)8/h4-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-