3-oxidanylbutan-2-yl (E)-docos-13-enoate

Systemtic Name: 3-oxidanylbutan-2-yl (E)-docos-13-enoate Openeye Name: (2-hydroxy-1-methyl-propyl) (E)-docos-13-enoate CAS Name: (E)-13-docosenoic acid 3-hydroxybutan-2-yl ester IUPAC Name: 3-hydroxybutan-2-yl (E)-docos-13-enoate Traditional Name: (E)-docos-13-enoic acid (2-hydroxy-1-methyl-propyl) ester Formula: C26H50O3 MolecularWeight: 410.6734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H50O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)29-25(3)24(2)27/h11-12,24-25,27H,4-10,13-23H2,1-3H3/b12-11+