bicyclo[4.1.0]hepta-1,3,5-triene; 2,2-bis(2-oxidanylpropanoyloxymethyl)butyl (E)-octadec-9-enoate

Systemtic Name: bicyclo[4.1.0]hepta-1,3,5-triene; 2,2-bis(2-oxidanylpropanoyloxymethyl)butyl (E)-octadec-9-enoate Openeye Name: bicyclo[4.1.0]hepta-1,3,5-triene; 2,2-bis(2-hydroxypropanoyloxymethyl)butyl (E)-octadec-9-enoate CAS Name: bicyclo[4.1.0]hepta-1,3,5-triene; (E)-9-octadecenoic acid 2,2-bis[(2-hydroxy-1-oxopropoxy)methyl]butyl ester IUPAC Name: bicyclo[4.1.0]hepta-1,3,5-triene; 2,2-bis(2-hydroxypropanoyloxymethyl)butyl (E)-octadec-9-enoate Traditional Name: bicyclo[4.1.0]hepta-1,3,5-triene; (E)-octadec-9-enoic acid 2,2-bis(lactoyloxymethyl)butyl ester Formula: C37H60O8 MolecularWeight: 632.8675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)(COC(=O)C(C)O)COC(=O)C(C)O.C1C2=CC=CC=C21

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CC)(COC(=O)C(C)O)COC(=O)C(C)O.C1C2=CC=CC=C21

InChI

InChI=1S/C30H54O8.C7H6/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;1-2-4-7-5-6(7)3-1/h13-14,25-26,31-32H,5-12,15-24H2,1-4H3;1-4H,5H2/b14-13+;