dicyclohexylazanium; 2-diethoxyphosphoryl-3-[1-methyl-2,6-bis(oxidanylidene)cyclohexyl]propanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-[1-methyl-2,6-bis(oxidanylidene)cyclohexyl]propanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(1-methyl-2,6-dioxo-cyclohexyl)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(1-methyl-2,6-dioxocyclohexyl)propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(1-methyl-2,6-dioxocyclohexyl)propanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,6-diketo-1-methyl-cyclohexyl)propionate Formula: C26H46NO7P MolecularWeight: 515.619701

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1(C(=O)CCCC1=O)C)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CC1(C(=O)CCCC1=O)C)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C14H23O7P.C12H23N/c1-4-20-22(19,21-5-2)10(13(17)18)9-14(3)11(15)7-6-8-12(14)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h10H,4-9H2,1-3H3,(H,17,18);11-13H,1-10H2