What is the molecular formula of ALPHAZURINE A?
The molecular formula of ALPHAZURINE A is C37H35N2NaO6S2.
What is the molecular weight of ALPHAZURINE A?
The molecular weight of ALPHAZURINE A is 690.8 g/mol.
What is the IUPAC name of ALPHAZURINE A?
The IUPAC name of ALPHAZURINE A is sodium;4-[[4-[benzyl(ethyl)amino]phenyl]-[4-[benzyl(ethyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate.
What is the InChI of ALPHAZURINE A?
The InChI of ALPHAZURINE A is InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1.
What is the InChIKey of ALPHAZURINE A?
The InChIKey of ALPHAZURINE A is FTUYQIPAPWPHNC-UHFFFAOYSA-M.
What is the canonical SMILES of ALPHAZURINE A?
The canonical SMILES of ALPHAZURINE A is CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=CC=C4)C=C3)C5=C(C=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].
What is the CAS number of ALPHAZURINE A?
The CAS number of ALPHAZURINE A is 3486-30-4.
What is the hydrogen bond donor count of ALPHAZURINE A?
The hydrogen bond donor count of ALPHAZURINE A is 0.
What is the hydrogen bond acceptor count of ALPHAZURINE A?
The hydrogen bond acceptor count of ALPHAZURINE A is 7.
What is the rotatable bond count of ALPHAZURINE A?
The rotatable bond count of ALPHAZURINE A is 9.