2,2-bis(2-oxidanylpropanoyloxymethyl)butyl (E)-octadec-9-enoate

Systemtic Name: 2,2-bis(2-oxidanylpropanoyloxymethyl)butyl (E)-octadec-9-enoate Openeye Name: 2,2-bis(2-hydroxypropanoyloxymethyl)butyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 2,2-bis[(2-hydroxy-1-oxopropoxy)methyl]butyl ester IUPAC Name: 2,2-bis(2-hydroxypropanoyloxymethyl)butyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 2,2-bis(lactoyloxymethyl)butyl ester Formula: C30H54O8 MolecularWeight: 542.74496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)(COC(=O)C(C)O)COC(=O)C(C)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CC)(COC(=O)C(C)O)COC(=O)C(C)O

InChI

InChI=1S/C30H54O8/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(33)36-22-30(6-2,23-37-28(34)25(3)31)24-38-29(35)26(4)32/h13-14,25-26,31-32H,5-12,15-24H2,1-4H3/b14-13+