15785-08-7 Purity
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The molecular formula of Acid Orange 63 is C35H26N6Na2O10S3.
The molecular weight of Acid Orange 63 is 832.8 g/mol.
Acid Orange 63 was created on July 19, 2005.
Acid Orange 63 was last modified on December 23, 2023.
The IUPAC name of Acid Orange 63 is disodium;5-[4-[[5-methyl-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl]phenyl]-2-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]benzenesulfonate.
The InChI of Acid Orange 63 is InChI=1S/C35H28N6O10S3.2Na/c1-22-3-16-31(17-4-22)54(49,50)51-29-14-10-27(11-15-29)36-38-32-20-7-25(21-33(32)53(46,47)48)24-5-8-26(9-6-24)37-39-34-23(2)40-41(35(34)42)28-12-18-30(19-13-28)52(43,44)45;;/h3-21,40H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2.
The Canonical SMILES of Acid Orange 63 is CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC=C(C=C4)N=NC5=C(NN(C5=O)C6=CC=C(C=C6)S(=O)(=O)[O-])C)S(=O)(=O)[O-].[Na+].[Na+].
The CAS number of Acid Orange 63 is 15792-50-4.
The hydrogen bond donor count of Acid Orange 63 is 1.
The hydrogen bond acceptor count of Acid Orange 63 is 15.
The InChIKey of ACID ORANGE 63 is GGEVYSQHFKSKBQ-UHFFFAOYSA-L.
ACID ORANGE 63 has 9 rotatable bonds.
The topological polar surface area of ACID ORANGE 63 is 265 ?2.