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

Systemtic Name: decanedioic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine Openeye Name: decanedioic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine CAS Name: decanedioic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine IUPAC Name: decanedioic acid; N'-[(Z)-octadec-9-enyl]propane-1,3-diamine Traditional Name: 3-aminopropyl-[(Z)-octadec-9-enyl]amine; sebacic acid Formula: C31H62N2O4 MolecularWeight: 526.83498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNCCCN.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H44N2.C10H18O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h9-10,23H,2-8,11-22H2,1H3;1-8H2,(H,11,12)(H,13,14)/b10-9-;