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Reference substances

Reference substances

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IUPAC name:
9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-10λ⁴-xanthen-10-ylium; tetrafluoroboranuide

Inventory

CAS number:
54854-14-7

Synonyms

Molecular and structural information

Molecular formula:
C28H31BF4N2O3
Molecular weight:
530.367
SMILES notation:
[o+]1c2c(c(c3c(cccc3)C(OCC)=O)c3c1cc(NCC)c(c3)C)cc(C)c(NCC)c2.[B-](F)(F)(F)F
InChl:
1S/C28H31N2O3.BF4/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h9-16,29-30H,6-8H2,1-5H3;/q+1;-1
Structural formula:
Chemical structure

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