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

Name: 3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-1,9'-xanthene]-3-one
SKU: ACM29199095-1
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Catalog NumberACM29199095-1

CAS Number29199-09-5

CategoryPressure & Heat Sensitive Recording Materials; Heat & Pressure Sensitive Dyes; Other Materials

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

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

EC Number

249-501-8

Exact Mass

562.258006g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

562.258006g/mol

Rotatable Bond Count

XLogP3

6.8

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