[4-(3-azanylpropylsulfonyl)-2-[(Z)-octadec-9-enoyl]oxy-butyl] (Z)-octadec-9-enoate

Systemtic Name: [4-(3-azanylpropylsulfonyl)-2-[(Z)-octadec-9-enoyl]oxy-butyl] (Z)-octadec-9-enoate Openeye Name: [4-(3-aminopropylsulfonyl)-2-[(Z)-octadec-9-enoyl]oxy-butyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [4-(3-aminopropylsulfonyl)-2-[(Z)-1-oxooctadec-9-enoxy]butyl] ester IUPAC Name: [4-(3-aminopropylsulfonyl)-2-[(Z)-octadec-9-enoyl]oxybutyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [4-(3-aminopropylsulfonyl)-2-[(Z)-octadec-9-enoyl]oxy-butyl] ester Formula: C43H81NO6S MolecularWeight: 740.17134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CCS(=O)(=O)CCCN)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CCS(=O)(=O)CCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C43H81NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(45)49-40-41(36-39-51(47,48)38-33-37-44)50-43(46)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41H,3-16,21-40,44H2,1-2H3/b19-17-,20-18-