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Reference substances

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IUPAC name:
reaction products of ethyl 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoate with silicomolybdic acid

Inventory

EC number:
263-793-4
EC name:
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate
CAS number:
63022-06-0
CAS number:
63022-06-0
Synonyms
Names:
Identifier:
IUPAC name
263-793-4
Identifier:
IUPAC name
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate
Identifier:
IUPAC name
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatesilicate
Identifier:
other: Molecular formula
C112H124MoN8O19Si
Identifier:
other: Molecular formula
C28H31N2O3+
Identifier:
other: InChl
InChI=1/C28H30N2O3/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/h9-16,29H,6-8H2,1-5H3/p+1/b30-24+

Molecular and structural information

Molecular formula:
Not applicable as the substance is UVCB
Molecular weight:
>= 3 700 - <= 8 200
SMILES notation:
CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C
InChl:
InChI=1S/C28H31N2O3/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/q+1
Structural formula:
Chemical structure

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