(2R,3R)-3-phenylmethoxy-2-[(E)-tetradec-2-enyl]octadecanoic acid

Systemtic Name: (2R,3R)-3-phenylmethoxy-2-[(E)-tetradec-2-enyl]octadecanoic acid Openeye Name: (2R,3R)-3-benzyloxy-2-[(E)-tetradec-2-enyl]octadecanoic acid CAS Name: (2R,3R)-3-phenylmethoxy-2-[(E)-tetradec-2-enyl]octadecanoic acid IUPAC Name: (2R,3R)-3-phenylmethoxy-2-[(E)-tetradec-2-enyl]octadecanoic acid Traditional Name: (E,2R)-2-[(1R)-1-benzoxyhexadecyl]hexadec-4-enoic acid Formula: C39H68O3 MolecularWeight: 584.95542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(CC=CCCCCCCCCCCC)C(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCC[C@H]([C@@H](C/C=C/CCCCCCCCCCC)C(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C39H68O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-38(42-35-36-31-27-26-28-32-36)37(39(40)41)33-29-24-22-20-18-16-14-12-10-8-6-4-2/h24,26-29,31-32,37-38H,3-23,25,30,33-35H2,1-2H3,(H,40,41)/b29-24+/t37-,38-/m1/s1