3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-diethoxyphosphoryl-propanoate; dicyclohexylazanium

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-diethoxyphosphoryl-propanoate; dicyclohexylazanium Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(1,3-dioxo-2-isoindolyl)propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-phthalimido-propionate Formula: C27H41N2O7P MolecularWeight: 536.597401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CN1C(=O)C2=CC=CC=C2C1=O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C15H18NO7P.C12H23N/c1-3-22-24(21,23-4-2)12(15(19)20)9-16-13(17)10-7-5-6-8-11(10)14(16)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,12H,3-4,9H2,1-2H3,(H,19,20);11-13H,1-10H2