[3-[(Z)-octadec-9-enoyl]oxy-2-[(4-sulfooxycyclohexyl)carbamoyloxy]propyl] (Z)-octadec-9-enoate

Systemtic Name: [3-[(Z)-octadec-9-enoyl]oxy-2-[(4-sulfooxycyclohexyl)carbamoyloxy]propyl] (Z)-octadec-9-enoate Openeye Name: [3-[(Z)-octadec-9-enoyl]oxy-2-[(4-sulfooxycyclohexyl)carbamoyloxy]propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [3-[(Z)-1-oxooctadec-9-enoxy]-2-[oxo-[(4-sulfooxycyclohexyl)amino]methoxy]propyl] ester IUPAC Name: [3-[(Z)-octadec-9-enoyl]oxy-2-[(4-sulfooxycyclohexyl)carbamoyloxy]propyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [3-[(Z)-octadec-9-enoyl]oxy-2-[(4-sulfoxycyclohexyl)carbamoyloxy]propyl] ester Formula: C46H83NO10S MolecularWeight: 842.21692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)NC1CCC(CC1)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)NC1CCC(CC1)OS(=O)(=O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C46H83NO10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(48)54-39-43(56-46(50)47-41-35-37-42(38-36-41)57-58(51,52)53)40-55-45(49)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41-43H,3-16,21-40H2,1-2H3,(H,47,50)(H,51,52,53)/b19-17-,20-18-