12222-37-6 Purity
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Specification
The molecular formula of Direct Yellow 120 is C27H22N6Na2O9S2.
Direct Yellow 120 was created on January 25, 2019.
The IUPAC Name of Direct Yellow 120 is disodium;3-[[3-methoxy-4-[[[2-methoxy-4-[(3-sulfophenyl)diazenyl]anilino]-oxidomethylidene]amino]phenyl]diazenyl]benzenesulfonate.
The Canonical SMILES of Direct Yellow 120 is COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)NC(=NC3=C(C=C(C=C3)N=NC4=CC(=CC=C4)S(=O)(=O)[O-])OC)[O-].[Na+].[Na+].
There are 2 hydrogen bond donor counts present in Direct Yellow 120.
The hydrogen bond acceptor count in Direct Yellow 120 is 14.
The exact mass of Direct Yellow 120 is 684.06850721 g/mol.
There are 10 rotatable bond counts present in Direct Yellow 120.
The topological polar surface area of Direct Yellow 120 is 244 Ų.
Yes, Direct Yellow 120 is a canonicalized compound according to PubChem.