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Reference substances

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General information

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Reference substance information

IUPAC name:
[9-(2-carboxyphenyl)-6-ethylamino-2,7-dimethylxanthen-3-ylidene]-ethylazanium
Synonyms
Names:
Identifier:
other:
9-(2-carboxylatophenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium

CAS information

CAS number:
82181-99-5

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
25152-49-2

Molecular and structural information

Molecular formula:
C26 H27 N2 O3
Molecular weight:
415.5
SMILES notation:
CCNC1=CC2=C(C=C1C)C(=C1C=C(C)\C(C=C1O2)=[NH+]/CC)C1=C(C=CC=C1)C(O)=O
InChl:
InChI=1S/C26H26N2O3/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/h7-14,27H,5-6H2,1-4H3,(H,29,30)/p+1/b28-22-
Structural formula:
Chemical structure