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butyl (Z,12R)-12-oxidanyl-18-sulfooxy-octadec-9-enoate

butyl (Z,12R)-12-oxidanyl-18-sulfooxy-octadec-9-enoate

Systemtic Name:butyl (Z,12R)-12-oxidanyl-18-sulfooxy-octadec-9-enoate
Openeye Name:butyl (Z,12R)-12-hydroxy-18-sulfooxy-octadec-9-enoate
CAS Name:(Z,12R)-12-hydroxy-18-sulfooxy-9-octadecenoic acid butyl ester
IUPAC Name:butyl (Z,12R)-12-hydroxy-18-sulfooxyoctadec-9-enoate
Traditional Name:(Z,12R)-12-hydroxy-18-sulfoxy-octadec-9-enoic acid butyl ester
Formula: C22H42O7S
MolecularWeight: 450.62968
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCCCCC=CCC(CCCCCCOS(=O)(=O)O)O


Isomeric SMILES

CCCCOC(=O)CCCCCCC/C=C\C[C@@H](CCCCCCOS(=O)(=O)O)O


InChI

InChI=1S/C22H42O7S/c1-2-3-19-28-22(24)18-14-9-7-5-4-6-8-12-16-21(23)17-13-10-11-15-20-29-30(25,26)27/h8,12,21,23H,2-7,9-11,13-20H2,1H3,(H,25,26,27)/b12-8-/t21-/m0/s1


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