(9Z,12Z)-octadeca-9,12-dienoic acid; propan-2-amine

Systemtic Name: (9Z,12Z)-octadeca-9,12-dienoic acid; propan-2-amine Openeye Name: (9Z,12Z)-octadeca-9,12-dienoic acid; propan-2-amine CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid; 2-propanamine IUPAC Name: (9Z,12Z)-octadeca-9,12-dienoic acid; propan-2-amine Traditional Name: isopropylamine; (9Z,12Z)-octadeca-9,12-dienoic acid Formula: C21H41NO2 MolecularWeight: 339.55574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32O2.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(2)4/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);3H,4H2,1-2H3/b7-6-,10-9-;