butyl (E)-2-sulfooxyoctadec-9-enoate

Systemtic Name: butyl (E)-2-sulfooxyoctadec-9-enoate Openeye Name: butyl (E)-2-sulfooxyoctadec-9-enoate CAS Name: (E)-2-sulfooxy-9-octadecenoic acid butyl ester IUPAC Name: butyl (E)-2-sulfooxyoctadec-9-enoate Traditional Name: (E)-2-sulfoxyoctadec-9-enoic acid butyl ester Formula: C22H42O6S MolecularWeight: 434.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(C(=O)OCCCC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(C(=O)OCCCC)OS(=O)(=O)O

InChI

InChI=1S/C22H42O6S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(28-29(24,25)26)22(23)27-20-6-4-2/h12-13,21H,3-11,14-20H2,1-2H3,(H,24,25,26)/b13-12+