(9E,12E)-octadeca-9,12-dienoate; quinolin-1-ium

Systemtic Name: (9E,12E)-octadeca-9,12-dienoate; quinolin-1-ium Openeye Name: (9E,12E)-octadeca-9,12-dienoate; quinolin-1-ium CAS Name: (9E,12E)-octadeca-9,12-dienoate; quinolin-1-ium IUPAC Name: (9E,12E)-octadeca-9,12-dienoate; quinolin-1-ium Traditional Name: (9E,12E)-octadeca-9,12-dienoate; quinolin-1-ium Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

InChI

InChI=1S/C18H32O2.C9H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-6-9-8(4-1)5-3-7-10-9/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);1-7H/b7-6+,10-9+;