(Z,2S,3S)-2-icosyl-3-phenylmethoxy-tetracos-8-enoic acid

Systemtic Name: (Z,2S,3S)-2-icosyl-3-phenylmethoxy-tetracos-8-enoic acid Openeye Name: (Z,2S,3S)-3-benzyloxy-2-icosyl-tetracos-8-enoic acid CAS Name: (Z,2S,3S)-2-eicosyl-3-phenylmethoxy-8-tetracosenoic acid IUPAC Name: (Z,2S,3S)-2-icosyl-3-phenylmethoxytetracos-8-enoic acid Traditional Name: (Z,2S,3S)-2-arachyl-3-benzoxy-tetracos-8-enoic acid Formula: C51H92O3 MolecularWeight: 753.27438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(CCCCC=CCCCCCCCCCCCCCCC)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CCCC/C=C\CCCCCCCCCCCCCCC)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C51H92O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42-46-50(54-47-48-43-39-38-40-44-48)49(51(52)53)45-41-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33,38-40,43-44,49-50H,3-30,32,34-37,41-42,45-47H2,1-2H3,(H,52,53)/b33-31-/t49-,50-/m0/s1