dicyclohexylazanium; 2-diethoxyphosphoryl-4-methyl-5-oxidanylidene-4-phenyl-pentanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-4-methyl-5-oxidanylidene-4-phenyl-pentanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-4-methyl-5-oxo-4-phenyl-pentanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-4-methyl-5-oxo-4-phenylpentanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-4-methyl-5-oxo-4-phenylpentanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-5-keto-4-methyl-4-phenyl-valerate Formula: C28H46NO6P MolecularWeight: 523.641701

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC(C)(C=O)C1=CC=CC=C1)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CC(C)(C=O)C1=CC=CC=C1)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C16H23O6P.C12H23N/c1-4-21-23(20,22-5-2)14(15(18)19)11-16(3,12-17)13-9-7-6-8-10-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h6-10,12,14H,4-5,11H2,1-3H3,(H,18,19);11-13H,1-10H2