N'-[(Z)-octadec-9-enyl]propane-1,3-diamine; 12-oxidanyloctadecanoic acid

Systemtic Name: N'-[(Z)-octadec-9-enyl]propane-1,3-diamine; 12-oxidanyloctadecanoic acid Openeye Name: 12-hydroxyoctadecanoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine CAS Name: 12-hydroxyoctadecanoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine IUPAC Name: 12-hydroxyoctadecanoic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine Traditional Name: 3-aminopropyl-[(Z)-octadec-9-enyl]amine; 12-hydroxystearic acid Formula: C57H116N2O6 MolecularWeight: 925.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNCCCN.CCCCCCC(CCCCCCCCCCC(=O)O)O.CCCCCCC(CCCCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCNCCCN.CCCCCCC(CCCCCCCCCCC(=O)O)O.CCCCCCC(CCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C21H44N2.2C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9-10,23H,2-8,11-22H2,1H3;2*17,19H,2-16H2,1H3,(H,20,21)/b10-9-;;