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

Systemtic Name: [3-[(E)-octadec-9-enoyl]oxy-2-(2-sulfooxyethylcarbamoyloxy)propyl] (E)-octadec-9-enoate Openeye Name: [3-[(E)-octadec-9-enoyl]oxy-2-(2-sulfooxyethylcarbamoyloxy)propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-[(E)-1-oxooctadec-9-enoxy]-2-[oxo-(2-sulfooxyethylamino)methoxy]propyl] ester IUPAC Name: [3-[(E)-octadec-9-enoyl]oxy-2-(2-sulfooxyethylcarbamoyloxy)propyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-[(E)-octadec-9-enoyl]oxy-2-(2-sulfoxyethylcarbamoyloxy)propyl] ester Formula: C42H77NO10S MolecularWeight: 788.12648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)NCCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)NCCOS(=O)(=O)O)COC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H77NO10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-37-39(53-42(46)43-35-36-52-54(47,48)49)38-51-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38H2,1-2H3,(H,43,46)(H,47,48,49)/b19-17+,20-18+