[3-(2-diethylaminoethylcarbamothioyloxy)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [3-(2-diethylaminoethylcarbamothioyloxy)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [3-(2-diethylaminoethylcarbamothioyloxy)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-[(2-diethylaminoethylamino)-sulfanylidenemethoxy]-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-(2-diethylaminoethylcarbamothioyloxy)-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-(2-diethylaminoethylthiocarbamoyloxy)-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C46H86N2O5S MolecularWeight: 779.25044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=S)NCCN(CC)CC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=S)NCCN(CC)CC)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H86N2O5S/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(49)51-41-43(42-52-46(54)47-39-40-48(7-3)8-4)53-45(50)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h21-24,43H,5-20,25-42H2,1-4H3,(H,47,54)/b23-21+,24-22+