dicyclohexylazanium; 2-diethoxyphosphoryl-3-[2,4,6-tris(oxidanyl)phenyl]propanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-[2,4,6-tris(oxidanyl)phenyl]propanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,4,6-trihydroxyphenyl)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,4,6-trihydroxyphenyl)propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(2,4,6-trihydroxyphenyl)propanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,4,6-trihydroxyphenyl)propionate Formula: C25H42NO8P MolecularWeight: 515.576641

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=C(C=C(C=C1O)O)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CC1=C(C=C(C=C1O)O)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C13H19O8P.C12H23N/c1-3-20-22(19,21-4-2)12(13(17)18)7-9-10(15)5-8(14)6-11(9)16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-6,12,14-16H,3-4,7H2,1-2H3,(H,17,18);11-13H,1-10H2