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

Systemtic Name: [2-(2-dimethylaminoethylcarbamothioyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-(2-dimethylaminoethylcarbamothioyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[(2-dimethylaminoethylamino)-sulfanylidenemethoxy]-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-(2-dimethylaminoethylcarbamothioyloxy)-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-(2-dimethylaminoethylthiocarbamoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C44H82N2O5S MolecularWeight: 751.19728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H82N2O5S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(47)49-39-41(51-44(52)45-37-38-46(3)4)40-50-43(48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-40H2,1-4H3,(H,45,52)/b21-19+,22-20+