dicyclohexylazanium; 2-diethoxyphosphoryl-4-oxidanylidene-pentanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-4-oxidanylidene-pentanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-4-oxo-pentanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-4-oxopentanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-4-oxopentanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-4-keto-valerate Formula: C21H40NO6P MolecularWeight: 433.519161

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC(=O)C)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CC(=O)C)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C9H17O6P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4-14-16(13,15-5-2)8(9(11)12)6-7(3)10/h11-13H,1-10H2;8H,4-6H2,1-3H3,(H,11,12)