dicyclohexylazanium; 2-diethoxyphosphoryl-3-(10-oxidanylphenanthren-9-yl)propanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(10-oxidanylphenanthren-9-yl)propanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(10-hydroxy-9-phenanthryl)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(10-hydroxy-9-phenanthrenyl)propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(10-hydroxyphenanthren-9-yl)propanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(10-hydroxy-9-phenanthryl)propionate Formula: C33H46NO6P MolecularWeight: 583.695201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=C(C2=CC=CC=C2C3=CC=CC=C31)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CC1=C(C2=CC=CC=C2C3=CC=CC=C31)O)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C21H23O6P.C12H23N/c1-3-26-28(25,27-4-2)19(21(23)24)13-18-16-11-6-5-9-14(16)15-10-7-8-12-17(15)20(18)22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-12,19,22H,3-4,13H2,1-2H3,(H,23,24);11-13H,1-10H2