ChemDiv2_001110
9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraene-11-carboxylic acid
Also Known As: ChemDiv2_001110|Oprea1_150004|AF-399/41368457|SR-01000111410-1|6,10-dioxo-7H,9H,11bH,6aH-1,3-thiazolino[5',4'-6,5]thiino[3,4-c]chromane-7-car boxylic acid|2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid|2,6-dioxo-2,3,5,5a,6,11b-hexahydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazole-5-carboxylic acid|2-hydroxy-6-oxo-5a,11b-dihydro-5H,6H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
| Molecular Formula | C14H9NO5S2 |
|---|---|
| Molecular Weight | 334.99222 g/mol |
| LogP | 1.6624 |
| Topological Polar Surface Area | 96.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.99222 |
| Monoisotopic Mass | 334.99222 |
| Heavy Atoms | 22 |
| Complexity | 854.91327 |
Chemical Identifiers
| CAS Number | 791815-38-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3C(C(SC4=C3SC(=O)N4)C(=O)O)C(=O)O2 |
Product Overview
ChemDiv2_001110 (CAS 791815-38-8), with molecular formula C14H9NO5S2 and molecular weight 334.99222 g/mol. IUPAC: 9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraene-11-carboxylic acid.
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