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

Systemtic Name: hexanedioic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine Openeye Name: adipic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine CAS Name: hexanedioic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine IUPAC Name: hexanedioic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine Traditional Name: adipic acid; 3-aminopropyl-[(Z)-octadec-9-enyl]amine Formula: C27H54N2O4 MolecularWeight: 470.72866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNCCCN.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H44N2.C6H10O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;7-5(8)3-1-2-4-6(9)10/h9-10,23H,2-8,11-22H2,1H3;1-4H2,(H,7,8)(H,9,10)/b10-9-;