2-[4-[1,5-bis(oxidanylidene)-1,5-diphenyl-pentan-3-yl]pyridin-1-ium-1-yl]hexadecanoic acid

Systemtic Name: 2-[4-[1,5-bis(oxidanylidene)-1,5-diphenyl-pentan-3-yl]pyridin-1-ium-1-yl]hexadecanoic acid Openeye Name: 2-[4-(3-oxo-1-phenacyl-3-phenyl-propyl)pyridin-1-ium-1-yl]hexadecanoic acid CAS Name: 2-[4-(1,5-dioxo-1,5-diphenylpentan-3-yl)-1-pyridin-1-iumyl]hexadecanoic acid IUPAC Name: 2-[4-(1,5-dioxo-1,5-diphenylpentan-3-yl)pyridin-1-ium-1-yl]hexadecanoic acid Traditional Name: 2-[4-(3-keto-1-phenacyl-3-phenyl-propyl)pyridin-1-ium-1-yl]palmitic acid Formula: C38H50NO4+ MolecularWeight: 584.8079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)O)[N+]1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCC(C(=O)O)[N+]1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C38H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-35(38(42)43)39-27-25-31(26-28-39)34(29-36(40)32-20-15-13-16-21-32)30-37(41)33-22-17-14-18-23-33/h13-18,20-23,25-28,34-35H,2-12,19,24,29-30H2,1H3/p+1