Acid Orange 45
[CAS 2429-80-3]

Identification

• Name: Acid Orange 45
• Synonyms: Disodium 3-Amino-4-[4-[4-[4-(4-Methylphenyl)Sulfonyloxyphenyl]Azophenyl]Phenyl]Azo-Naphthalene-2,7-Disulfonate; Disodium 3-Amino-4-[4-[4-[4-(4-Methylphenyl)Sulfonyloxyphenyl]Azophenyl]Phenyl]Azonaphthalene-2,7-Disulfonate; Disodium 3-Amino-4-[4-[4-[4-(4-Methylphenyl)Sulfonyloxyphenyl]Diazenylphenyl]Phenyl]Diazenyl-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₃₅H₂₅N₅Na₂O₉S₃
• Molecular Weight: 801.77
• CAS Registry Number: 2429-80-3
• EINECS: 219-389-5
• SMILES: C1=CC(=CC2=C1C(=C(N)C(=C2)[S](=O)(=O)[O-])N=NC6=CC=C(C5=CC=C(N=NC4=CC=C(O[S](C3=CC=C(C)C=C3)(=O)=O)C=C4)C=C5)C=C6)[S](=O)(=O)[O-].[Na+].[Na+]
• InChI: 1S/C35H27N5O9S3.2Na/c1-22-2-16-30(17-3-22)52(47,48)49-29-14-12-28(13-15-29)38-37-26-8-4-23(5-9-26)24-6-10-27(11-7-24)39-40-35-32-19-18-31(50(41,42)43)20-25(32)21-33(34(35)36)51(44,45)46;;/h2-21H,36H2,1H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2
• InChIKey: NJXPQVNXQNPYRT-UHFFFAOYSA-L