butyl (E)-18-sulfooxyoctadec-9-enoate

Systemtic Name: butyl (E)-18-sulfooxyoctadec-9-enoate Openeye Name: butyl (E)-18-sulfooxyoctadec-9-enoate CAS Name: (E)-18-sulfooxy-9-octadecenoic acid butyl ester IUPAC Name: butyl (E)-18-sulfooxyoctadec-9-enoate Traditional Name: (E)-18-sulfoxyoctadec-9-enoic acid butyl ester Formula: C22H42O6S MolecularWeight: 434.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCCCCC=CCCCCCCCCOS(=O)(=O)O

Isomeric SMILES

CCCCOC(=O)CCCCCCC/C=C/CCCCCCCCOS(=O)(=O)O

InChI

InChI=1S/C22H42O6S/c1-2-3-20-27-22(23)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-28-29(24,25)26/h4-5H,2-3,6-21H2,1H3,(H,24,25,26)/b5-4+