2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethyl (E)-octadec-9-enoate

Systemtic Name: 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethyl (E)-octadec-9-enoate Openeye Name: 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethyl ester IUPAC Name: 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethyl ester Formula: C27H53N3O4 MolecularWeight: 483.72742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCN1CN(CN(C1)CCO)CCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCN1CN(CN(C1)CCO)CCO

InChI

InChI=1S/C27H53N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(33)34-23-20-30-25-28(18-21-31)24-29(26-30)19-22-32/h9-10,31-32H,2-8,11-26H2,1H3/b10-9+