[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (E)-docos-13-enoate

Systemtic Name: [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (E)-docos-13-enoate Openeye Name: [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (E)-docos-13-enoate CAS Name: (E)-13-docosenoic acid [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] ester IUPAC Name: [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (E)-docos-13-enoate Traditional Name: (E)-docos-13-enoic acid [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] ester Formula: C42H80O2 MolecularWeight: 617.0834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C

InChI

InChI=1S/C42H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35-42(43)44-37-36-41(6)34-28-33-40(5)32-27-31-39(4)30-26-29-38(2)3/h14-15,36,38-40H,7-13,16-35,37H2,1-6H3/b15-14+,41-36+/t39-,40-/m1/s1