Azocal a

• CAS: 1836-22-2
• Catalog Number: ACM1836222
• Category: Other Products
• Molecular Weight: 518.4g/mol
• Molecular Formula: C17H9N2Na3O9S2
• Synonyms: Azocal A;Mordant Red 9
• IUPAC Name: trisodium;4-[(2-carboxyphenyl)diazenyl]-3-oxidonaphthalene-2,7-disulfonate
• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)N=NC2=C3C=CC(=CC3=CC(=C2[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C17H12N2O9S2.3Na/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3
• InChI Key: RBKBGHZMNFTKRE-UHFFFAOYSA-K
• Density: 1.76g/cm³
• Complexity: 851
• Covalently-Bonded Unit Count: 4
• EC Number: 217-401-3
• Exact Mass: 517.944255g/mol
• Formal Charge: 0
• H-Bond Acceptor: 11
• H-Bond Donor: 1
• Heavy Atom Count: 33
• Monoisotopic Mass: 517.944255g/mol
• Rotatable Bond Count: 3
• UNII: AI36N787FP