5-dodecanoyl-2-oxidanyl-benzoate; 1-methyl-1-octyl-piperidin-1-ium

Systemtic Name: 5-dodecanoyl-2-oxidanyl-benzoate; 1-methyl-1-octyl-piperidin-1-ium Openeye Name: 5-dodecanoyl-2-hydroxy-benzoate; 1-methyl-1-octyl-piperidin-1-ium CAS Name: 2-hydroxy-5-(1-oxododecyl)benzoate; 1-methyl-1-octylpiperidin-1-ium IUPAC Name: 5-dodecanoyl-2-hydroxybenzoate; 1-methyl-1-octylpiperidin-1-ium Traditional Name: 2-hydroxy-5-lauroyl-benzoate; 1-methyl-1-octyl-piperidin-1-ium Formula: C33H57NO4 MolecularWeight: 531.80998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-].CCCCCCCC[N+]1(CCCCC1)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)[O-].CCCCCCCC[N+]1(CCCCC1)C

InChI

InChI=1S/C19H28O4.C14H30N/c1-2-3-4-5-6-7-8-9-10-11-17(20)15-12-13-18(21)16(14-15)19(22)23;1-3-4-5-6-7-9-12-15(2)13-10-8-11-14-15/h12-14,21H,2-11H2,1H3,(H,22,23);3-14H2,1-2H3/q;+1/p-1