[(2R,3R,4E,8E)-1,3-bis(phenylmethoxy)-7-phenylsulfanyl-octadeca-4,8-dien-2-yl] methanesulfonate

Systemtic Name: [(2R,3R,4E,8E)-1,3-bis(phenylmethoxy)-7-phenylsulfanyl-octadeca-4,8-dien-2-yl] methanesulfonate Openeye Name: [(1R,2R,3E,7E)-2-benzyloxy-1-(benzyloxymethyl)-6-phenylsulfanyl-heptadeca-3,7-dienyl] methanesulfonate CAS Name: methanesulfonic acid [(2R,3R,4E,8E)-1,3-bis(phenylmethoxy)-7-(phenylthio)octadeca-4,8-dien-2-yl] ester IUPAC Name: [(2R,3R,4E,8E)-1,3-bis(phenylmethoxy)-7-phenylsulfanyloctadeca-4,8-dien-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1R,2R,3E,7E)-2-benzoxy-1-(benzoxymethyl)-6-(phenylthio)heptadeca-3,7-dienyl] ester Formula: C39H52O5S2 MolecularWeight: 664.95718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC(CC=CC(C(COCC1=CC=CC=C1)OS(=O)(=O)C)OCC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC/C=C/C(C/C=C/[C@H]([C@@H](COCC1=CC=CC=C1)OS(=O)(=O)C)OCC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C39H52O5S2/c1-3-4-5-6-7-8-9-10-18-26-37(45-36-27-19-13-20-28-36)29-21-30-38(43-32-35-24-16-12-17-25-35)39(44-46(2,40)41)33-42-31-34-22-14-11-15-23-34/h11-28,30,37-39H,3-10,29,31-33H2,1-2H3/b26-18+,30-21+/t37?,38-,39-/m1/s1