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

Systemtic Name: 3-[2,4-bis(oxidanyl)phenyl]-2-diethoxyphosphoryl-propanoate; dicyclohexylazanium Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,4-dihydroxyphenyl)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,4-dihydroxyphenyl)propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(2,4-dihydroxyphenyl)propanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2,4-dihydroxyphenyl)propionate Formula: C25H42NO7P MolecularWeight: 499.577241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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