2-[2-[(E)-heptadec-1-enyl]imidazolidin-1-ium-1-yl]ethyl (Z)-octadec-9-enoate; 2-oxidanylethanoate

Systemtic Name: 2-[2-[(E)-heptadec-1-enyl]imidazolidin-1-ium-1-yl]ethyl (Z)-octadec-9-enoate; 2-oxidanylethanoate Openeye Name: 2-[2-[(E)-heptadec-1-enyl]imidazolidin-1-ium-1-yl]ethyl (Z)-octadec-9-enoate; 2-hydroxyacetate CAS Name: 2-hydroxyacetate; (Z)-9-octadecenoic acid 2-[2-[(E)-heptadec-1-enyl]-1-imidazolidin-1-iumyl]ethyl ester IUPAC Name: 2-[2-[(E)-heptadec-1-enyl]imidazolidin-1-ium-1-yl]ethyl (Z)-octadec-9-enoate; 2-hydroxyacetate Traditional Name: glycolate; (Z)-octadec-9-enoic acid 2-[2-[(E)-heptadec-1-enyl]imidazolidin-1-ium-1-yl]ethyl ester Formula: C42H80N2O5 MolecularWeight: 693.095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC1NCC[NH+]1CCOC(=O)CCCCCCCC=CCCCCCCCC.C(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C1NCC[NH+]1CCOC(=O)CCCCCCC/C=C\CCCCCCCC.C(C(=O)[O-])O

InChI

InChI=1S/C40H76N2O2.C2H4O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-36-42(39)37-38-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;3-1-2(4)5/h18,20,31,33,39,41H,3-17,19,21-30,32,34-38H2,1-2H3;3H,1H2,(H,4,5)/b20-18-,33-31+;