1,3-bis[(E)-octadec-9-enoxy]propan-2-yl N-(2-dimethylaminoethyl)sulfamate

Systemtic Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl N-(2-dimethylaminoethyl)sulfamate Openeye Name: [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] N-(2-dimethylaminoethyl)sulfamate CAS Name: N-(2-dimethylaminoethyl)sulfamic acid 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl ester IUPAC Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl N-(2-dimethylaminoethyl)sulfamate Traditional Name: N-(2-dimethylaminoethyl)sulfamic acid [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C43H86N2O5S MolecularWeight: 743.21834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCC=CCCCCCCCC)OS(=O)(=O)NCCN(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(OS(=O)(=O)NCCN(C)C)COCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C43H86N2O5S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-48-41-43(50-51(46,47)44-37-38-45(3)4)42-49-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,43-44H,5-18,23-42H2,1-4H3/b21-19+,22-20+