3-(diphenylmethyl)oxybutyl-diethyl-azanium; 5-ethoxy-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: 3-(diphenylmethyl)oxybutyl-diethyl-azanium; 5-ethoxy-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: 3-benzhydryloxybutyl(diethyl)ammonium; 5-ethoxy-3-(2-ethoxy-2-oxo-ethyl)-2-hydroxy-5-oxo-pentanoate CAS Name: 3-(diphenylmethyl)oxybutyl-diethylammonium; 5-ethoxy-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-5-oxopentanoate IUPAC Name: 3-benzhydryloxybutyl(diethyl)azanium; 5-ethoxy-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-5-oxopentanoate Traditional Name: 3-benzhydryloxybutyl(diethyl)ammonium; 5-ethoxy-3-(2-ethoxy-2-keto-ethyl)-2-hydroxy-5-keto-valerate Formula: C32H47NO8 MolecularWeight: 573.71748

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(C)OC(C1=CC=CC=C1)C2=CC=CC=C2.CCOC(=O)CC(CC(=O)OCC)C(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CCC(C)OC(C1=CC=CC=C1)C2=CC=CC=C2.CCOC(=O)CC(CC(=O)OCC)C(C(=O)[O-])O

InChI

InChI=1S/C21H29NO.C11H18O7/c1-4-22(5-2)17-16-18(3)23-21(19-12-8-6-9-13-19)20-14-10-7-11-15-20;1-3-17-8(12)5-7(10(14)11(15)16)6-9(13)18-4-2/h6-15,18,21H,4-5,16-17H2,1-3H3;7,10,14H,3-6H2,1-2H3,(H,15,16)