cyclohexylazanium; [4-[1-(4-hydroxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] phosphate

Systemtic Name: cyclohexylazanium; [4-[1-(4-hydroxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] phosphate Openeye Name: cyclohexylammonium; [4-[1-(4-hydroxyphenyl)-3-oxo-isobenzofuran-1-yl]phenyl] phosphate CAS Name: cyclohexylammonium; [4-[1-(4-hydroxyphenyl)-3-oxo-1-isobenzofuranyl]phenyl] phosphate IUPAC Name: cyclohexylazanium; [4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] phosphate Traditional Name: cyclohexylammonium; [4-[1-(4-hydroxyphenyl)-3-keto-phthalan-1-yl]phenyl] phosphate Formula: C32H41N2O7P MolecularWeight: 596.650901

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH3+].C1CCC(CC1)[NH3+].C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])[O-]

Isomeric SMILES

C1CCC(CC1)[NH3+].C1CCC(CC1)[NH3+].C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)([O-])[O-]

InChI

InChI=1S/C20H15O7P.2C6H13N/c21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)26-20)14-7-11-16(12-8-14)27-28(23,24)25;2*7-6-4-2-1-3-5-6/h1-12,21H,(H2,23,24,25);2*6H,1-5,7H2