ethane-1,2-diamine; ethanoic acid; (9Z,12Z)-octadeca-9,12-dienoic acid

Systemtic Name: ethane-1,2-diamine; ethanoic acid; (9Z,12Z)-octadeca-9,12-dienoic acid Openeye Name: acetic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid CAS Name: acetic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid IUPAC Name: acetic acid; ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid Traditional Name: acetic acid; 2-aminoethylamine; (9Z,12Z)-octadeca-9,12-dienoic acid Formula: C22H44N2O4 MolecularWeight: 400.59576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)O.CC(=O)O.C(CN)N

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CC(=O)O.C(CN)N

InChI

InChI=1S/C18H32O2.C2H8N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4;1-2(3)4/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);1-4H2;1H3,(H,3,4)/b7-6-,10-9-;;