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

Systemtic Name: (E)-octadec-9-enoic acid; N'-[(E)-octadec-9-enyl]propane-1,3-diamine Openeye Name: (E)-octadec-9-enoic acid; N'-[(E)-octadec-9-enyl]propane-1,3-diamine CAS Name: (E)-9-octadecenoic acid; N'-[(E)-octadec-9-enyl]propane-1,3-diamine IUPAC Name: (E)-octadec-9-enoic acid; N'-[(E)-octadec-9-enyl]propane-1,3-diamine Traditional Name: 3-aminopropyl-[(E)-octadec-9-enyl]amine; elaidic acid Formula: C39H78N2O2 MolecularWeight: 607.04882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H44N2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;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;9-10H,2-8,11-17H2,1H3,(H,19,20)/b2*10-9+