CAS 313498-68-9 - C23H13NO6S
16-[hydroxy(phenyl)methylidene]-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-12-sulfonic acid
Also Known As: 16-benzoyl-8,15-dioxo-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9(17),10,12-heptaene-12-sulfonic acid
CAS: 313498-68-9
| Molecular Formula | C23H13NO6S |
|---|---|
| Molecular Weight | 431.04636 g/mol |
| LogP | 1.95108 |
| Topological Polar Surface Area | 121.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.04636 |
| Monoisotopic Mass | 431.04636 |
| Heavy Atoms | 31 |
| Complexity | 1851.5896 |
Chemical Identifiers
| CAS Number | 313498-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C2C3=C4C(=CC=C(C4=NC2=O)S(=O)(=O)O)C(=O)C5=CC=CC=C53)O |
Product Overview
CAS 313498-68-9 - C23H13NO6S (CAS 313498-68-9), with molecular formula C23H13NO6S and molecular weight 431.04636 g/mol. IUPAC: 16-[hydroxy(phenyl)methylidene]-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-12-sulfonic acid.
Safety Data Sheet (MSDS / SDS)
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