(4-methylphenyl)sulfonyl (E)-octadec-9-enoate

Systemtic Name: (4-methylphenyl)sulfonyl (E)-octadec-9-enoate Openeye Name: p-tolylsulfonyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (4-methylphenyl)sulfonyl ester IUPAC Name: (4-methylphenyl)sulfonyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid tosyl ester Formula: C25H40O4S MolecularWeight: 436.6477

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C25H40O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(26)29-30(27,28)24-21-19-23(2)20-22-24/h10-11,19-22H,3-9,12-18H2,1-2H3/b11-10+