[(2S,3S)-3-[(E)-hexadec-3-enyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-3-[(E)-hexadec-3-enyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-3-[(E)-hexadec-3-enyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-[(E)-hexadec-3-enyl]-2-oxiranyl]methyl ester IUPAC Name: [(2S,3S)-3-[(E)-hexadec-3-enyl]oxiran-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-3-[(E)-hexadec-3-enyl]oxiran-2-yl]methyl ester Formula: C26H42O4S MolecularWeight: 450.67428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CCCC1C(O1)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCC/C=C/CC[C@H]1[C@@H](O1)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C26H42O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-26(30-25)22-29-31(27,28)24-20-18-23(2)19-21-24/h14-15,18-21,25-26H,3-13,16-17,22H2,1-2H3/b15-14+/t25-,26-/m0/s1