[(2S,3R)-3-[(Z)-pentacos-17-enyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R)-3-[(Z)-pentacos-17-enyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3R)-3-[(Z)-pentacos-17-enyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-[(Z)-pentacos-17-enyl]-2-oxiranyl]methyl ester IUPAC Name: [(2S,3R)-3-[(Z)-pentacos-17-enyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R)-3-[(Z)-pentacos-17-enyl]oxiran-2-yl]methyl ester Formula: C35H60O4S MolecularWeight: 576.9135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCCCCCCCCCCCCCCCCC1C(O1)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCC/C=C\CCCCCCCCCCCCCCCC[C@@H]1[C@@H](O1)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C35H60O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-34-35(39-34)31-38-40(36,37)33-29-27-32(2)28-30-33/h9-10,27-30,34-35H,3-8,11-26,31H2,1-2H3/b10-9-/t34-,35+/m1/s1