bis(2-hydroxyethyl)-(2-oxidanyldodecyl)-(2-oxidanylideneethyl)azanium; 7-methyloctanoate

Systemtic Name: bis(2-hydroxyethyl)-(2-oxidanyldodecyl)-(2-oxidanylideneethyl)azanium; 7-methyloctanoate Openeye Name: 2-hydroxydodecyl-bis(2-hydroxyethyl)-(2-oxoethyl)ammonium; 7-methyloctanoate CAS Name: 2-hydroxydodecyl-bis(2-hydroxyethyl)-(2-oxoethyl)ammonium; 7-methyloctanoate IUPAC Name: 2-hydroxydodecyl-bis(2-hydroxyethyl)-(2-oxoethyl)azanium; 7-methyloctanoate Traditional Name: 2-hydroxydodecyl-bis(2-hydroxyethyl)-(2-ketoethyl)ammonium; 7-methylcaprylate Formula: C27H55NO6 MolecularWeight: 489.7287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C[N+](CCO)(CCO)CC=O)O.CC(C)CCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(C[N+](CCO)(CCO)CC=O)O.CC(C)CCCCCC(=O)[O-]

InChI

InChI=1S/C18H38NO4.C9H18O2/c1-2-3-4-5-6-7-8-9-10-18(23)17-19(11-14-20,12-15-21)13-16-22;1-8(2)6-4-3-5-7-9(10)11/h14,18,21-23H,2-13,15-17H2,1H3;8H,3-7H2,1-2H3,(H,10,11)/q+1;/p-1