bis[(9E,12E)-octadeca-9,12-dienyl] sulfate

Systemtic Name: bis[(9E,12E)-octadeca-9,12-dienyl] sulfate Openeye Name: bis[(9E,12E)-octadeca-9,12-dienyl] sulfate CAS Name: sulfuric acid bis[(9E,12E)-octadeca-9,12-dienyl] ester IUPAC Name: bis[(9E,12E)-octadeca-9,12-dienyl] sulfate Traditional Name: sulfuric acid bis[(9E,12E)-octadeca-9,12-dienyl] ester Formula: C36H66O4S MolecularWeight: 594.97184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOS(=O)(=O)OCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOS(=O)(=O)OCCCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C36H66O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-36H2,1-2H3/b13-11+,14-12+,19-17+,20-18+