Compound C22H18N2O5S
2-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid
| Molecular Formula | C22H18N2O5S |
|---|---|
| Molecular Weight | 422.5 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 135.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.09363 |
| Heavy Atoms | 30 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 27711-76-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=C3C(=C(C(=C2)C)N)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O |
| InChIKey | NPTFPGVUCJVNBW-UHFFFAOYSA-N |
📖 Product Overview
Compound C22H18N2O5S (CAS: 27711-76-8) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.5 g/mol. Its IUPAC systematic name is 2-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid.
NPTFPGVUCJVNBW-UHFFFAOYSA-N.
SMILES: CC1=CC(=C(C=C1)NC2=C3C(=C(C(=C2)C)N)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O.
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