AC1MI79S
1-amino-4-[5-(2-hydroxyethylsulfonyl)-2-methoxyanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: EINECS 279-204-9|1-Amino-9,10-dihydro-4-((5-((2-hydroxyethyl)sulphonyl)-2-methoxyphenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid|1-amino-4-[5-(2-hydroxyethylsulfonyl)-2-methoxyanilino]-9,10-dioxoanthracene-2-sulfonic acid|1-amino-4-[[5-(2-hydroxyethylsulfonyl)-2-methoxy-phenyl]amino]-9,10-dioxo-anthracene-2-sulfonic acid|1-amino-4-[[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]amino]-9,10-dioxoanthracene-2-sulfonic acid|1-Amino-4-[5-(2-hydroxyethanesulfonyl)-2-methoxyanilino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid|1-AMINO-4-{[5-(2-HYDROXYETHANESULFONYL)-2-METHOXYPHENYL]AMINO}-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONIC ACID|1-amino-9,10-dihydro-4-[[5-[ sulphonyl]-2-methoxyphenyl]amino]-9,10-dioxoanthracene-2-sulphonicacid|1-Amino-9,10-dihydro-4-[[5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl]amino]-9,10-dioxo-2-anthracenesulfonic acid|1-amino-9,10-dihydro-4-[[5-[(2-hydroxyethyl)sulphonyl]-2-methoxyphenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid
| Molecular Formula | C23H20N2O9S2 |
|---|---|
| Molecular Weight | 532.06104 g/mol |
| LogP | 1.8091 |
| Topological Polar Surface Area | 190.16 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.06104 |
| Monoisotopic Mass | 532.06104 |
| Heavy Atoms | 36 |
| Complexity | 1646.2186 |
Chemical Identifiers
| CAS Number | 79641-28-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)CCO)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
Product Overview
AC1MI79S (CAS 79641-28-4), with molecular formula C23H20N2O9S2 and molecular weight 532.06104 g/mol. IUPAC: 1-amino-4-[5-(2-hydroxyethylsulfonyl)-2-methoxyanilino]-9,10-dioxoanthracene-2-sulfonic acid.