AC1MJQ9P
tetramethyl 6'-(2-iodobenzoyl)-9'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Also Known As: BAS 00721880|tetramethyl 6'-(2-iodobenzoyl)-9'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate|tetramethyl 6'-[(2-iodophenyl)carbonyl]-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate|methyl 11-[(2-iodophenyl)carbonyl]-14-methoxy-10,10-dimethyl-4,5,8-tris(methox ycarbonyl)spiro[1,3-dithiolene-2,1'-5,6-dihydrothiino[2,3-c]quinoline]-7-carbo xylate|tetramethyl 6'-(2-iodobenzoyl)-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate|tetramethyl 6'-(2-iodobenzoyl)-9'-methoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
| Molecular Formula | C32H28INO10S3 |
|---|---|
| Molecular Weight | 808.992 g/mol |
| LogP | 5.5307 |
| Topological Polar Surface Area | 134.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 808.992 |
| Monoisotopic Mass | 808.992 |
| Heavy Atoms | 47 |
| Complexity | 1819.3066 |
Chemical Identifiers
| CAS Number | 296272-45-2 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C4=CC=CC=C4I)C=CC(=C3)OC)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C |
Product Overview
AC1MJQ9P (CAS 296272-45-2), with molecular formula C32H28INO10S3 and molecular weight 808.992 g/mol. IUPAC: tetramethyl 6'-(2-iodobenzoyl)-9'-methoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate.
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