O7-(3-oxidanylidenetridec-12-enyl) O1-(2-undec-10-enoyloxyethyl) 2-bromanyl-2,4,6-trimethyl-heptanedioate

Systemtic Name: O7-(3-oxidanylidenetridec-12-enyl) O1-(2-undec-10-enoyloxyethyl) 2-bromanyl-2,4,6-trimethyl-heptanedioate Openeye Name: O7-(3-oxotridec-12-enyl) O1-(2-undec-10-enoyloxyethyl) 2-bromo-2,4,6-trimethyl-heptanedioate CAS Name: 2-bromo-2,4,6-trimethylheptanedioic acid O7-(3-oxotridec-12-enyl) ester O1-[2-(1-oxoundec-10-enoxy)ethyl] ester IUPAC Name: 7-O-(3-oxotridec-12-enyl) 1-O-(2-undec-10-enoyloxyethyl) 2-bromo-2,4,6-trimethylheptanedioate Traditional Name: 2-bromo-2,4,6-trimethyl-pimelic acid O7-(3-ketotridec-12-enyl) ester O1-(2-undec-10-enoyloxyethyl) ester Formula: C36H61BrO7 MolecularWeight: 685.76934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(=O)OCCC(=O)CCCCCCCCC=C)CC(C)(C(=O)OCCOC(=O)CCCCCCCCC=C)Br

Isomeric SMILES

CC(CC(C)C(=O)OCCC(=O)CCCCCCCCC=C)CC(C)(C(=O)OCCOC(=O)CCCCCCCCC=C)Br

InChI

InChI=1S/C36H61BrO7/c1-6-8-10-12-14-16-18-20-22-32(38)24-25-43-34(40)31(4)28-30(3)29-36(5,37)35(41)44-27-26-42-33(39)23-21-19-17-15-13-11-9-7-2/h6-7,30-31H,1-2,8-29H2,3-5H3