Registration Dossier

General information

Inventory

EC number:
213-584-9
EC name:
9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride
CAS number:
989-38-8

No inventory information available

Reference substance information

IUPAC name:
9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-10lambda4-xanthen-10-ylium chloride
Synonyms
Names:
Benzoic acid, 2-?6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl?-,ethyl ester, monohydrochlorideXanthylium, 9-?2-(ethoxycarbonyl)phenyl?-3,6-bis(ethylamino)-2,7-dimethyl-, chloride
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl] -3,6-bis(ethylamino)-2,7-dimethyl-, chloride
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, chloride
9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthenium chloride

CAS information

CAS number:
989-38-8

Molecular and structural information

Molecular formula:
C28H31N2O3.Cl
Molecular weight:
479.01
SMILES notation:
[Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C
InChl:
InChI=1/C28H31N2O3.ClH/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;/h9-16,29-30H,6-8H2,1-5H3;1H/q+1;/p-1
Structural formula:
Chemical structure