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

Systemtic Name: cyclohexanamine; [4-[1-(4-hydroxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] dihydrogen phosphate Openeye Name: cyclohexanamine; [4-[1-(4-hydroxyphenyl)-3-oxo-isobenzofuran-1-yl]phenyl] dihydrogen phosphate CAS Name: cyclohexanamine; [4-[1-(4-hydroxyphenyl)-3-oxo-1-isobenzofuranyl]phenyl] dihydrogen phosphate IUPAC Name: cyclohexanamine; [4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] dihydrogen phosphate Traditional Name: cyclohexylamine; [4-[1-(4-hydroxyphenyl)-3-keto-phthalan-1-yl]phenyl] dihydrogen phosphate Formula: C26H28NO7P MolecularWeight: 497.476781

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.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)N.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.C6H13N/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;7-6-4-2-1-3-5-6/h1-12,21H,(H2,23,24,25);6H,1-5,7H2