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

Systemtic Name: 1,3-bis[(E)-octadec-9-enoxy]propan-2-yl N-(2-diethylaminoethyl)sulfamate Openeye Name: [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] N-(2-diethylaminoethyl)sulfamate CAS Name: N-(2-diethylaminoethyl)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-diethylaminoethyl)sulfamate Traditional Name: N-(2-diethylaminoethyl)sulfamic acid [2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C45H90N2O5S MolecularWeight: 771.2715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H90N2O5S/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-50-43-45(52-53(48,49)46-39-40-47(7-3)8-4)44-51-42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h21-24,45-46H,5-20,25-44H2,1-4H3/b23-21+,24-22+