1-[(Z)-octadec-9-enoxy]butan-2-yl hydrogen sulfate

Systemtic Name: 1-[(Z)-octadec-9-enoxy]butan-2-yl hydrogen sulfate Openeye Name: 1-[[(Z)-octadec-9-enoxy]methyl]propyl hydrogen sulfate CAS Name: sulfuric acid 1-[(Z)-octadec-9-enoxy]butan-2-yl ester IUPAC Name: 1-[(Z)-octadec-9-enoxy]butan-2-yl hydrogen sulfate Traditional Name: sulfuric acid 1-[[(Z)-octadec-9-enoxy]methyl]propyl ester Formula: C22H44O5S MolecularWeight: 420.64676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(CC)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOCC(CC)OS(=O)(=O)O

InChI

InChI=1S/C22H44O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-22(4-2)27-28(23,24)25/h11-12,22H,3-10,13-21H2,1-2H3,(H,23,24,25)/b12-11-