CAS
97171-78-3 Purity
96%
97171-78-3 Purity
96%
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Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-,tungstate
CAS
97171-90-9
Catalog Number
ACM97171909
Category
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What is the molecular formula of Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-,tungstate?
The molecular formula is C56H62N4O10W.
What are the synonyms of Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-,tungstate?
The synonyms are not provided in the reference.
What is the molecular weight of Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-,tungstate?
The molecular weight is 1134.9 g/mol.
What is the parent compound of Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-,tungstate?
The parent compound is CID 13807 (Basic Red 1).
What is the IUPAC name of Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-,tungstate?
The IUPAC name is dioxido(dioxo)tungsten;[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium.
What is the InChI of Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-,tungstate?
The InChI is InChI=1S/2C28H30N2O3.4O.W/c2*1-6-29-23-15-25-21(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;;;;;/h2*9-16,29H,6-8H2,1-5H3;;;;;/q;;;;2*-1;/p+2.
What is the InChIKey of Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-,tungstate?
The InChIKey is YFKDKTSMLDGXTD-UHFFFAOYSA-P.
What is the canonical SMILES of Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-,tungstate?
The canonical SMILES is CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[O-][W](=O)(=O)[O-].
What is the hydrogen bond donor count of Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-,tungstate?
The hydrogen bond donor count is 4.
What is the hydrogen bond acceptor count of Xanthylium,9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-,tungstate?
The hydrogen bond acceptor count is 12.
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