(E,4R,5S,6R,17S)-17-oxidanyl-4,5,6-tris(phenylmethoxy)octadec-2-enoic acid

Systemtic Name: (E,4R,5S,6R,17S)-17-oxidanyl-4,5,6-tris(phenylmethoxy)octadec-2-enoic acid Openeye Name: (E,4R,5S,6R,17S)-4,5,6-tribenzyloxy-17-hydroxy-octadec-2-enoic acid CAS Name: (E,4R,5S,6R,17S)-17-hydroxy-4,5,6-tris(phenylmethoxy)-2-octadecenoic acid IUPAC Name: (E,4R,5S,6R,17S)-17-hydroxy-4,5,6-tris(phenylmethoxy)octadec-2-enoic acid Traditional Name: (E,4R,5S,6R,17S)-4,5,6-tribenzoxy-17-hydroxy-octadec-2-enoic acid Formula: C39H52O6 MolecularWeight: 616.82658

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCC(C(C(C=CC(=O)O)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

C[C@@H](CCCCCCCCCC[C@H]([C@@H]([C@@H](/C=C/C(=O)O)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C39H52O6/c1-32(40)19-11-6-4-2-3-5-7-18-26-36(43-29-33-20-12-8-13-21-33)39(45-31-35-24-16-10-17-25-35)37(27-28-38(41)42)44-30-34-22-14-9-15-23-34/h8-10,12-17,20-25,27-28,32,36-37,39-40H,2-7,11,18-19,26,29-31H2,1H3,(H,41,42)/b28-27+/t32-,36+,37+,39-/m0/s1