dicyclohexylazanium; 2-diethoxyphosphoryl-3-(1-ethoxycarbonyl-2-oxidanylidene-cyclohexyl)propanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(1-ethoxycarbonyl-2-oxidanylidene-cyclohexyl)propanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(1-ethoxycarbonyl-2-oxo-cyclohexyl)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(1-ethoxycarbonyl-2-oxocyclohexyl)propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(1-ethoxycarbonyl-2-oxocyclohexyl)propanoate Traditional Name: 3-(1-carbethoxy-2-keto-cyclohexyl)-2-diethoxyphosphoryl-propionate; dicyclohexylammonium Formula: C28H50NO8P MolecularWeight: 559.672261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1=O)CC(C(=O)[O-])P(=O)(OCC)OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOC(=O)C1(CCCCC1=O)CC(C(=O)[O-])P(=O)(OCC)OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C16H27O8P.C12H23N/c1-4-22-15(20)16(10-8-7-9-13(16)17)11-12(14(18)19)25(21,23-5-2)24-6-3;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h12H,4-11H2,1-3H3,(H,18,19);11-13H,1-10H2