What is the molecular formula of Toluidine bule?
The molecular formula of Toluidine bule is C28H22N2NaO10S2.
What is the molecular weight of Toluidine bule?
The molecular weight of Toluidine bule is 633.6 g/mol.
What is the InChI of Toluidine bule?
The InChI of Toluidine bule is InChI=1S/C28H22N2O10S2.Na/c1-13-3-5-15(21(11-13)41(35,36)37)29-17-7-9-19(31)25-23(17)27(33)26-20(32)10-8-18(24(26)28(25)34)30-16-6-4-14(2-12-22(16)42(38,39)40);/h3-12,29-32H,1-2H3,(H,35,36,37)(H,38,39,40);
What is the InChIKey of Toluidine bule?
The InChIKey of Toluidine bule is ZFDAGPYSCSOMOO-UHFFFAOYSA-N.
What is the canonical SMILES of Toluidine bule?
The canonical SMILES of Toluidine bule is CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O.[Na].
What is the CAS number of Toluidine bule?
The CAS number of Toluidine bule is 3209-30-1.
What is the hydrogen bond donor count of Toluidine bule?
The hydrogen bond donor count of Toluidine bule is 6.
What is the hydrogen bond acceptor count of Toluidine bule?
The hydrogen bond acceptor count of Toluidine bule is 12.
What is the rotatable bond count of Toluidine bule?
The rotatable bond count of Toluidine bule is 6.
Is Toluidine bule a canonicalized compound?
Yes, Toluidine bule is a canonicalized compound.