[1-[2-[bis(2-hydroxyethyl)amino]ethoxy]-1-oxidanylidene-propan-2-yl] (E)-docos-13-enoate

Systemtic Name: [1-[2-[bis(2-hydroxyethyl)amino]ethoxy]-1-oxidanylidene-propan-2-yl] (E)-docos-13-enoate Openeye Name: [2-[2-[bis(2-hydroxyethyl)amino]ethoxy]-1-methyl-2-oxo-ethyl] (E)-docos-13-enoate CAS Name: (E)-13-docosenoic acid [1-[2-[bis(2-hydroxyethyl)amino]ethoxy]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-[bis(2-hydroxyethyl)amino]ethoxy]-1-oxopropan-2-yl] (E)-docos-13-enoate Traditional Name: (E)-docos-13-enoic acid [2-[2-[bis(2-hydroxyethyl)amino]ethoxy]-2-keto-1-methyl-ethyl] ester Formula: C31H59NO6 MolecularWeight: 541.80326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(C)C(=O)OCCN(CCO)CCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OC(C)C(=O)OCCN(CCO)CCO

InChI

InChI=1S/C31H59NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(35)38-29(2)31(36)37-28-25-32(23-26-33)24-27-34/h10-11,29,33-34H,3-9,12-28H2,1-2H3/b11-10+