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butyl (Z)-12-oxidanyl-2-sulfooxy-octadec-9-enoate

butyl (Z)-12-oxidanyl-2-sulfooxy-octadec-9-enoate

Systemtic Name:butyl (Z)-12-oxidanyl-2-sulfooxy-octadec-9-enoate
Openeye Name:butyl (Z)-12-hydroxy-2-sulfooxy-octadec-9-enoate
CAS Name:(Z)-12-hydroxy-2-sulfooxy-9-octadecenoic acid butyl ester
IUPAC Name:butyl (Z)-12-hydroxy-2-sulfooxyoctadec-9-enoate
Traditional Name:(Z)-12-hydroxy-2-sulfoxy-octadec-9-enoic acid butyl ester
Formula: C22H42O7S
MolecularWeight: 450.62968
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H42O7S/c1-3-5-7-13-16-20(23)17-14-11-9-8-10-12-15-18-21(29-30(25,26)27)22(24)28-19-6-4-2/h11,14,20-21,23H,3-10,12-13,15-19H2,1-2H3,(H,25,26,27)/b14-11-


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