(phenylmethyl)sulfonyl (E)-octadec-9-enoate

Systemtic Name: (phenylmethyl)sulfonyl (E)-octadec-9-enoate Openeye Name: benzylsulfonyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (phenylmethyl)sulfonyl ester IUPAC Name: benzylsulfonyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid benzylsulfonyl ester Formula: C25H40O4S MolecularWeight: 436.6477

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C25H40O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)29-30(27,28)23-24-20-17-16-18-21-24/h9-10,16-18,20-21H,2-8,11-15,19,22-23H2,1H3/b10-9+