AC1NX4S0
lithium;sodium;6-amino-5-[[4-[[3-(benzenesulfonyl)-3-chloropropanoyl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
Also Known As: EINECS 280-126-2|Lithium sodium 6-amino-5-((4-((3-chloro-1-oxo-3-(phenylsulphonyl)propyl)amino)-2-sulphonatophenyl)azo)-4-hydroxynaphthalene-2-sulphonate|2-Naphthalenesulfonicacid,6-amino-5-[2-[4-[[3-chloro-1-oxo-3-(phenylsulfonyl)propyl]amino]-2-sulfophenyl]diazenyl]-4-hydroxy-,lithium sodium salt (1:?:?)|lithium sodium 5-[2-[4-[[3-(benzenesulfonyl)-3-chloropropanoyl]amino]-2-sulfonatophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate|Lithium sodium 6-amino-5-[[4-[[3-chloro-1-oxo-3-(phenylsulphonyl)propyl]amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate|lithium,sodium,5-[2-[4-[[3-(benzenesulfonyl)-3-chloropropanoyl]amino]-2-sulfonatophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate|lithiumsodium6-amino-5-[[4-[[3-chloro-1-oxo-3- propyl]amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate
| Molecular Formula | C25H19ClLiN4NaO10S3 |
|---|---|
| Molecular Weight | 696.001 g/mol |
| LogP | -2.2734 |
| Topological Polar Surface Area | 248.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 696.001 |
| Monoisotopic Mass | 696.001 |
| Heavy Atoms | 45 |
| Complexity | 2120.0806 |
Chemical Identifiers
| CAS Number | 83006-76-2 |
|---|---|
| SMILES | [Li+].C1=CC=C(C=C1)S(=O)(=O)C(CC(=O)NC2=CC(=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)[O-])N)S(=O)(=O)[O-])Cl.[Na+] |
Product Overview
AC1NX4S0 (CAS 83006-76-2), with molecular formula C25H19ClLiN4NaO10S3 and molecular weight 696.001 g/mol. IUPAC: lithium;sodium;6-amino-5-[[4-[[3-(benzenesulfonyl)-3-chloropropanoyl]amino]-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate.