1-Butanaminium, N,N,N-tributyl-, salt with 2′,4′,5′,7′-tetrabromo-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one (2:1)
CAS Registry Number®
123333-95-9
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CAS Name
1-Butanaminium, N,N,N-tributyl-, salt with 2′,4′,5′,7′-tetrabromo-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one (2:1)Molecular Formula
C20H6Br4O5.2C16H36NCite this Page
1-Butanaminium, N,N,N-tributyl-, salt with 2′,4′,5′,7′-tetrabromo-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one (2:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=123333-95-9 (retrieved ) (CAS RN: 123333-95-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H8Br4O5.C16H36N/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-6,25-26H;5-16H2,1-4H3/q;+1/p-2
InChIKey
InChIKey=DCBNAZHDIIVCHJ-UHFFFAOYSA-L
SMILES
O=C1OC2(C=3C(OC=4C2=CC(Br)=C([O-])C4Br)=C(Br)C([O-])=C(Br)C3)C=5C1=CC=CC5.[N+](CCCC)(CCCC)(CCCC)CCCC
Canonical SMILES
O=C1OC2(C=3C=CC=CC13)C4=CC(Br)=C([O-])C(Br)=C4OC5=C(Br)C([O-])=C(Br)C=C52.CCCC[N+](CCCC)(CCCC)CCCC
Other Names for this Substance
- 1-Butanaminium, N,N,N-tributyl-, salt with 2′,4′,5′,7′-tetrabromo-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one (2:1)
- Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 2′,4′,5′,7′-tetrabromo-3′,6′-dihydroxy-, ion(2-), bis(N,N,N-tributyl-1-butanaminium)
