(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate; quinolin-1-ium

Systemtic Name: (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate; quinolin-1-ium Openeye Name: (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate; quinolin-1-ium CAS Name: (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoate; quinolin-1-ium IUPAC Name: (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate; quinolin-1-ium Traditional Name: (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoate; quinolin-1-ium Formula: C29H39NO2 MolecularWeight: 433.62546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O2.C9H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-6-9-8(4-1)5-3-7-10-9/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);1-7H/b7-6+,10-9+,13-12+,16-15+;