[(E)-1,2-bis(oxidanyl)henicos-12-en-3-yl] hydrogen sulfate

Systemtic Name: [(E)-1,2-bis(oxidanyl)henicos-12-en-3-yl] hydrogen sulfate Openeye Name: [(E)-1-(1,2-dihydroxyethyl)nonadec-10-enyl] hydrogen sulfate CAS Name: sulfuric acid [(E)-1,2-dihydroxyheneicos-12-en-3-yl] ester IUPAC Name: [(E)-1,2-dihydroxyhenicos-12-en-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [(E)-1-(1,2-dihydroxyethyl)nonadec-10-enyl] ester Formula: C21H42O6S MolecularWeight: 422.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(C(CO)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(CO)O)OS(=O)(=O)O

InChI

InChI=1S/C21H42O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(20(23)19-22)27-28(24,25)26/h9-10,20-23H,2-8,11-19H2,1H3,(H,24,25,26)/b10-9+