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

Systemtic Name: (Z)-octadec-9-enoic acid; N'-[(E)-octadec-9-enyl]propane-1,3-diamine Openeye Name: (Z)-octadec-9-enoic acid; N'-[(E)-octadec-9-enyl]propane-1,3-diamine CAS Name: (Z)-9-octadecenoic acid; N'-[(E)-octadec-9-enyl]propane-1,3-diamine IUPAC Name: (Z)-octadec-9-enoic acid; N'-[(E)-octadec-9-enyl]propane-1,3-diamine Traditional Name: 3-aminopropyl-[(E)-octadec-9-enyl]amine; oleic acid Formula: C57H112N2O4 MolecularWeight: 889.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNCCCN.CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H44N2.2C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,23H,2-8,11-22H2,1H3;2*9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+;2*10-9-