[(E,2R,3R)-3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-octadec-4-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,2R,3R)-3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-octadec-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,2R,3R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]octadec-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,2R,3R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]octadec-4-enyl] ester IUPAC Name: [(E,2R,3R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]octadec-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,2R,3R)-2-hydroxy-3-p-anisyloxy-octadec-4-enyl] ester Formula: C33H50O6S MolecularWeight: 574.8115

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)OCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@@H](COS(=O)(=O)C1=CC=C(C=C1)C)O)OCC2=CC=C(C=C2)OC

InChI

InChI=1S/C33H50O6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(38-26-29-20-22-30(37-3)23-21-29)32(34)27-39-40(35,36)31-24-18-28(2)19-25-31/h16-25,32-34H,4-15,26-27H2,1-3H3/b17-16+/t32-,33-/m1/s1