azanium (Z)-2-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]but-2-enedioate

Systemtic Name: azanium (Z)-2-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]but-2-enedioate Openeye Name: ammonium (Z)-2-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]but-2-enedioate CAS Name: ammonium (Z)-2-[2-[2-hydroxyethyl(1-oxooctadecyl)amino]ethyl]-2-butenedioate IUPAC Name: azanium (Z)-2-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]but-2-enedioate Traditional Name: ammonium (Z)-2-[2-[2-hydroxyethyl(stearoyl)amino]ethyl]but-2-enedioate Formula: C26H49N2O6- MolecularWeight: 485.67706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N(CCC(=CC(=O)[O-])C(=O)[O-])CCO.[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N(CC/C(=C/C(=O)[O-])/C(=O)[O-])CCO.[NH4+]

InChI

InChI=1S/C26H47NO6.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(20-21-28)19-18-23(26(32)33)22-25(30)31;/h22,28H,2-21H2,1H3,(H,30,31)(H,32,33);1H3/p-1/b23-22-;