O-[2,3-bis[(E)-octadec-9-enoxy]propyl] N-(2-diethylaminoethyl)carbamothioate

Systemtic Name: O-[2,3-bis[(E)-octadec-9-enoxy]propyl] N-(2-diethylaminoethyl)carbamothioate Openeye Name: O-[2,3-bis[(E)-octadec-9-enoxy]propyl] N-(2-diethylaminoethyl)carbamothioate CAS Name: N-(2-diethylaminoethyl)carbamothioic acid O-[2,3-bis[(E)-octadec-9-enoxy]propyl] ester IUPAC Name: O-[2,3-bis[(E)-octadec-9-enoxy]propyl] N-(2-diethylaminoethyl)carbamothioate Traditional Name: N-(2-diethylaminoethyl)thiocarbamic acid O-[2,3-bis[(E)-octadec-9-enoxy]propyl] ester Formula: C46H90N2O3S MolecularWeight: 751.2834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COC(=S)NCCN(CC)CC)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(COC(=S)NCCN(CC)CC)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H90N2O3S/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-49-43-45(44-51-46(52)47-39-40-48(7-3)8-4)50-42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h21-24,45H,5-20,25-44H2,1-4H3,(H,47,52)/b23-21+,24-22+