The molecular formula of the compound is C20H18N2O4S.
What is the PubChem CID of the compound?
The PubChem CID of the compound is 6366543.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(4-butylphenoxy)sulfonyl-2-diazonionaphthalen-1-olate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C20H18N2O4S/c1-2-3-5-14-8-10-15(11-9-14)26-27(24,25)19-7-4-6-17-16(19)12-13-18(22-21)20(17)23/h4,6-13H,2-3,5H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is IMVRRGAJJGEOEA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCCCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N.
What is the CAS number of the compound?
The CAS number of the compound is 94349-48-1.
What is the molecular weight of the compound?
The molecular weight of the compound is 382.4 g/mol.
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor count.
How many rotatable bond count does the compound have?
The compound has 6 rotatable bond count.
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