[3-[(Z)-octadec-9-enoyl]oxy-2-(6-sulfooxyhexylcarbamoyloxy)propyl] (Z)-octadec-9-enoate

Systemtic Name: [3-[(Z)-octadec-9-enoyl]oxy-2-(6-sulfooxyhexylcarbamoyloxy)propyl] (Z)-octadec-9-enoate Openeye Name: [3-[(Z)-octadec-9-enoyl]oxy-2-(6-sulfooxyhexylcarbamoyloxy)propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [3-[(Z)-1-oxooctadec-9-enoxy]-2-[oxo-(6-sulfooxyhexylamino)methoxy]propyl] ester IUPAC Name: [3-[(Z)-octadec-9-enoyl]oxy-2-(6-sulfooxyhexylcarbamoyloxy)propyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [3-[(Z)-octadec-9-enoyl]oxy-2-(6-sulfoxyhexylcarbamoyloxy)propyl] ester Formula: C46H85NO10S MolecularWeight: 844.2328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)NCCCCCCOS(=O)(=O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C46H85NO10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-44(48)54-41-43(57-46(50)47-39-35-31-32-36-40-56-58(51,52)53)42-55-45(49)38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43H,3-16,21-42H2,1-2H3,(H,47,50)(H,51,52,53)/b19-17-,20-18-