[(4R)-4-(phenylmethoxymethyl)-1-phenylsulfanyl-pentadecan-4-yl] (E,5R)-5-oxidanyl-5-(phenylmethoxymethyl)hexadec-2-enoate

Systemtic Name: [(4R)-4-(phenylmethoxymethyl)-1-phenylsulfanyl-pentadecan-4-yl] (E,5R)-5-oxidanyl-5-(phenylmethoxymethyl)hexadec-2-enoate Openeye Name: [(1R)-1-(benzyloxymethyl)-1-(3-phenylsulfanylpropyl)dodecyl] (E,5R)-5-(benzyloxymethyl)-5-hydroxy-hexadec-2-enoate CAS Name: (E,5R)-5-hydroxy-5-(phenylmethoxymethyl)-2-hexadecenoic acid [(4R)-4-(phenylmethoxymethyl)-1-(phenylthio)pentadecan-4-yl] ester IUPAC Name: [(4R)-4-(phenylmethoxymethyl)-1-phenylsulfanylpentadecan-4-yl] (E,5R)-5-hydroxy-5-(phenylmethoxymethyl)hexadec-2-enoate Traditional Name: (E,5R)-5-(benzoxymethyl)-5-hydroxy-hexadec-2-enoic acid [(1R)-1-(benzoxymethyl)-1-[3-(phenylthio)propyl]dodecyl] ester Formula: C53H80O5S MolecularWeight: 829.2643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCSC1=CC=CC=C1)(COCC2=CC=CC=C2)OC(=O)C=CCC(CCCCCCCCCCC)(COCC3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCCCC[C@@](CCCSC1=CC=CC=C1)(COCC2=CC=CC=C2)OC(=O)/C=C/C[C@](CCCCCCCCCCC)(COCC3=CC=CC=C3)O

InChI

InChI=1S/C53H80O5S/c1-3-5-7-9-11-13-15-17-28-39-52(55,46-56-44-48-32-22-19-23-33-48)40-30-38-51(54)58-53(47-57-45-49-34-24-20-25-35-49,41-29-18-16-14-12-10-8-6-4-2)42-31-43-59-50-36-26-21-27-37-50/h19-27,30,32-38,55H,3-18,28-29,31,39-47H2,1-2H3/b38-30+/t52-,53-/m1/s1