dicyclohexylazanium; 2-diethoxyphosphoryl-3-(4-oxidanylphenoxy)propanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(4-oxidanylphenoxy)propanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(4-hydroxyphenoxy)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(4-hydroxyphenoxy)propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(4-hydroxyphenoxy)propanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(4-hydroxyphenoxy)propionate Formula: C25H42NO7P MolecularWeight: 499.577241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(COC1=CC=C(C=C1)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(COC1=CC=C(C=C1)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C13H19O7P.C12H23N/c1-3-19-21(17,20-4-2)12(13(15)16)9-18-11-7-5-10(14)6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,12,14H,3-4,9H2,1-2H3,(H,15,16);11-13H,1-10H2