cyclohexanamine; (6'-methoxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) dihydrogen phosphate

Systemtic Name: cyclohexanamine; (6'-methoxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) dihydrogen phosphate Openeye Name: cyclohexanamine; (6'-methoxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) dihydrogen phosphate CAS Name: cyclohexanamine; (6'-methoxy-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl) dihydrogen phosphate IUPAC Name: cyclohexanamine; (6'-methoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) dihydrogen phosphate Traditional Name: cyclohexylamine; (3-keto-6'-methoxy-spiro[phthalan-1,9'-xanthene]-3'-yl) dihydrogen phosphate Formula: C27H28NO8P MolecularWeight: 525.486881

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OP(=O)(O)O)C5=CC=CC=C5C(=O)O3.C1CCC(CC1)N

Isomeric SMILES

COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OP(=O)(O)O)C5=CC=CC=C5C(=O)O3.C1CCC(CC1)N

InChI

InChI=1S/C21H15O8P.C6H13N/c1-26-12-6-8-16-18(10-12)27-19-11-13(29-30(23,24)25)7-9-17(19)21(16)15-5-3-2-4-14(15)20(22)28-21;7-6-4-2-1-3-5-6/h2-11H,1H3,(H2,23,24,25);6H,1-5,7H2