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Reference substances

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General information

Inventory

EC number:
221-326-1
EC name:
3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium chloride
CAS number:
3068-39-1

No inventory information available

Reference substance information

IUPAC name:
3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthenium chloride
Synonyms
Names:
Benzoic acid, 2-?6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl?-,methyl ester, monohydrochloride
Xanthylium, 3,6-bis(ethylamino)-9-[2- (methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride

CAS information

CAS number:
3068-39-1

Molecular and structural information

Molecular formula:
C27H29N2O3.Cl
Molecular weight:
464.984
SMILES notation:
[Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OC)c2cc1C
InChl:
InChI=1/C27H29N2O3.ClH/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;/h8-15,28-29H,6-7H2,1-5H3;1H/q+1;/p-1
Structural formula:
Chemical structure