9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium Cesium Salt

Analyte Name

9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium Cesium Salt

CAS Number

1254945-67-9

Molecular Formula

C26H26CsN2O3.

Molecular Weight

547.4

Accurate Mass

547.1

SMILES

CCNC1=CC2=[O+]C3=CC(NCC)=C(C)C=C3C(C4=C(C=CC=C4)C5=O[Cs+][O-]5)=C2C=C1C

InChI

InChI=1S/C26H26N2O3.Cs/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23;/h7-14,27-28H,5-6H2,1-4H3;/q;+1

IUPAC

Cesium(1+), [9-[2-(carboxy-?O,?O')phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthyliumato]- (ACI)

Alternate CAS Number

Free acid: 82181-99-5

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat