[(E)-heptadec-2-enyl] 3-oxidanylbutan-2-yl sulfate

Systemtic Name: [(E)-heptadec-2-enyl] 3-oxidanylbutan-2-yl sulfate Openeye Name: [(E)-heptadec-2-enyl] (2-hydroxy-1-methyl-propyl) sulfate CAS Name: sulfuric acid [(E)-heptadec-2-enyl] 3-hydroxybutan-2-yl ester IUPAC Name: [(E)-heptadec-2-enyl] 3-hydroxybutan-2-yl sulfate Traditional Name: sulfuric acid [(E)-heptadec-2-enyl] (2-hydroxy-1-methyl-propyl) ester Formula: C21H42O5S MolecularWeight: 406.62018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CCOS(=O)(=O)OC(C)C(C)O

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/COS(=O)(=O)OC(C)C(C)O

InChI

InChI=1S/C21H42O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-27(23,24)26-21(3)20(2)22/h17-18,20-22H,4-16,19H2,1-3H3/b18-17+