dicyclohexylazanium; 2-diethoxyphosphoryl-3-(2,4-dimethoxy-6-oxidanyl-phenyl)propanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(2,4-dimethoxy-6-oxidanyl-phenyl)propanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2-hydroxy-4,6-dimethoxy-phenyl)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(2-hydroxy-4,6-dimethoxy-phenyl)propionate Formula: C27H46NO8P MolecularWeight: 543.629801

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=C(C=C(C=C1OC)OC)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CC1=C(C=C(C=C1OC)OC)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C15H23O8P.C12H23N/c1-5-22-24(19,23-6-2)14(15(17)18)9-11-12(16)7-10(20-3)8-13(11)21-4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-8,14,16H,5-6,9H2,1-4H3,(H,17,18);11-13H,1-10H2