[(E)-7-(2-hydroxyethyl)henicos-12-en-3-yl] hydrogen sulfate

Systemtic Name: [(E)-7-(2-hydroxyethyl)henicos-12-en-3-yl] hydrogen sulfate Openeye Name: [(E)-1-ethyl-5-(2-hydroxyethyl)nonadec-10-enyl] hydrogen sulfate CAS Name: sulfuric acid [(E)-7-(2-hydroxyethyl)heneicos-12-en-3-yl] ester IUPAC Name: [(E)-7-(2-hydroxyethyl)henicos-12-en-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [(E)-1-ethyl-5-(2-hydroxyethyl)nonadec-10-enyl] ester Formula: C23H46O5S MolecularWeight: 434.67334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCC(CCCC(CC)OS(=O)(=O)O)CCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCC(CCCC(CC)OS(=O)(=O)O)CCO

InChI

InChI=1S/C23H46O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-22(20-21-24)18-16-19-23(4-2)28-29(25,26)27/h11-12,22-24H,3-10,13-21H2,1-2H3,(H,25,26,27)/b12-11+