[(E)-3-octadecanoyloxy-1-oxidanyl-4-phenyl-but-3-en-2-yl] octadecanoate

Systemtic Name: [(E)-3-octadecanoyloxy-1-oxidanyl-4-phenyl-but-3-en-2-yl] octadecanoate Openeye Name: [(E)-1-(hydroxymethyl)-2-octadecanoyloxy-3-phenyl-allyl] octadecanoate CAS Name: octadecanoic acid [(E)-1-hydroxy-3-(1-oxooctadecoxy)-4-phenylbut-3-en-2-yl] ester IUPAC Name: [(E)-1-hydroxy-3-octadecanoyloxy-4-phenylbut-3-en-2-yl] octadecanoate Traditional Name: stearic acid [(E)-1-methylol-3-phenyl-2-stearoyloxy-allyl] ester Formula: C46H80O5 MolecularWeight: 713.1244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CO)C(=CC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)/C(=C\C1=CC=CC=C1)/OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C46H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-45(48)50-43(40-42-36-32-31-33-37-42)44(41-47)51-46(49)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36-37,40,44,47H,3-30,34-35,38-39,41H2,1-2H3/b43-40+