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  • 3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthene]-3-one

  • 3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthene]-3-one

    Catalog Number
    ACM29199095-1
    CAS Number
    29199-09-5
    Product Name
    3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthene]-3-one
    Structure
    Category
    Pressure & Heat Sensitive Recording Materials; Heat & Pressure Sensitive Dyes; Other Materials
    IUPAC Name
    3',6'-bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-3,9'-xanthene]-1-one
    Molecular Weight
    562.7g/mol
    Molecular Formula
    C34H34N4O4
    Canonical SMILES
    CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)N3C6=CC=C(C=C6)[N+](=O)[O-]
    InChI
    InChI=1S/C34H34N4O4/c1-5-35(6-2)25-17-19-29-31(21-25)42-32-22-26(36(7-3)8-4)18-20-30(32)34(29)28-12-10-9-11-27(28)33(39)37(34)23-13-15-24(16-14-23)38(40)41/h9-22H,5-8H2,1-4H3
    InChI Key
    XZXFZILEZWXEND-UHFFFAOYSA-N
    Complexity
    920
    Covalently-Bonded Unit Count
    1
    EC Number
    249-501-8
    Exact Mass
    562.258006g/mol
    Formal Charge
    0
    Heavy Atom Count
    42
    Monoisotopic Mass
    562.258006g/mol
    Rotatable Bond Count
    7
    XLogP3
    6.8
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