93962-98-2 Purity
96%
If you have any other questions or need other size, please get a quote.
The molecular weight of the keyword is 577.7 g/mol.
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.
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-].
The InChIKey of the keyword is XGTFVUZGZBLOBE-UHFFFAOYSA-O.
There are 3 hydrogen bond donor counts in the keyword.
There are 7 hydrogen bond acceptor counts in the keyword.
The XLogP3-AA value of the keyword is -3.3.
The topological polar surface area of the keyword is 217 Ų.
There are 9 rotatable bond counts in the keyword.
Yes, the compound is canonicalized.