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  • Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-,inner salt,ammonium salt(1:1)

Ethanaminium,N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-,inner salt,ammonium salt(1:1)

CAS
93963-02-1
Catalog Number
ACM93963021
Category
Other Products
Molecular Formula
C27H32N2O6S2.H3N

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What is the molecular weight of the keyword?

The molecular weight of the keyword is 577.7 g/mol.

What is the IUPAC Name of the keyword?

The IUPAC Name of the keyword is 4-[[4-(2-azaniumylethyl)-4-[1,2-bis(azaniumyl)ethyl]cyclohexa-2,5-dien-1-ylidene]-[4-(diethylamino)phenyl]methyl]benzene-1,3-disulfonate.

What is the Canonical SMILES representation of the keyword?

The Canonical SMILES representation of the keyword is CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(C=C2)(CC[NH3+])C(C[NH3+])[NH3+])C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].

What is the InChIKey of the keyword?

The InChIKey of the keyword is XGTFVUZGZBLOBE-UHFFFAOYSA-O.

How many hydrogen bond donor counts are there in the keyword?

There are 3 hydrogen bond donor counts in the keyword.

How many hydrogen bond acceptor counts are there in the keyword?

There are 7 hydrogen bond acceptor counts in the keyword.

What is the XLogP3-AA value of the keyword?

The XLogP3-AA value of the keyword is -3.3.

What is the topological polar surface area of the keyword?

The topological polar surface area of the keyword is 217 Ų.

How many rotatable bond counts are there in the keyword?

There are 9 rotatable bond counts in the keyword.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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