Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate

Name: Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate
SKU: ACM97192002
Rating: 5 (1 reviews)

CAS

97192-00-2

Catalog Number

ACM97192002

Category

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What is the molecular formula of Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate?

The molecular formula is C56H62N4O9Si.

What is the molecular weight of Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate?

The molecular weight is 963.2 g/mol.

What is the IUPAC name of Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate?

The IUPAC name is [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;dioxido(oxo)silane.

What is the InChI of Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate?

The InChI is InChI=1S/2C28H30N2O3.O3Si/c2*1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-4(2)3/h2*9-18H,5-8H2,1-4H3;/q;;-2/p+2.

What is the InChIKey of Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate?

The InChIKey is VELSXOWMTTWUCS-UHFFFAOYSA-P.

What is the canonical SMILES of Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate?

The canonical SMILES is CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[O-][Si](=O)[O-].

What is the hydrogen bond donor count of Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate?

The hydrogen bond acceptor count is 11.

What is the rotatable bond count of Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate?

The rotatable bond count is 14.

Is Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate a canonicalized compound?

Yes, Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-,silicate is a canonicalized compound.

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