[(E,3R,4R)-1,4-bis(phenylmethoxy)nonadec-5-en-3-yl] methanesulfonate

Systemtic Name: [(E,3R,4R)-1,4-bis(phenylmethoxy)nonadec-5-en-3-yl] methanesulfonate Openeye Name: [(E,1R,2R)-2-benzyloxy-1-(2-benzyloxyethyl)heptadec-3-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E,3R,4R)-1,4-bis(phenylmethoxy)nonadec-5-en-3-yl] ester IUPAC Name: [(E,3R,4R)-1,4-bis(phenylmethoxy)nonadec-5-en-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(E,1R,2R)-2-benzoxy-1-(2-benzoxyethyl)heptadec-3-enyl] ester Formula: C34H52O5S MolecularWeight: 572.83868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CCOCC1=CC=CC=C1)OS(=O)(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@@H](CCOCC1=CC=CC=C1)OS(=O)(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C34H52O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-33(38-30-32-24-19-16-20-25-32)34(39-40(2,35)36)27-28-37-29-31-22-17-15-18-23-31/h15-26,33-34H,3-14,27-30H2,1-2H3/b26-21+/t33-,34-/m1/s1