Basic information
- CAS
903086-92-0- Standard SMILES
O=C(O)c1ccccc1-c1c2ccc(=O)c(I)c-2oc2c(I)c(OS(=O)(=O)c3ccc(Br)cc3)ccc12- InChIKey
CPEVLBAFFKNGKY-UHFFFAOYSA-N- Molecular formula
- C26H13BrI2O7S
- Average molar mass
- 803.2 g/mol
Names & identifiers
- Preferred name
- 2-(6-{[(4-bromophenyl)sulfonyl]oxy}-4,5-diiodo-3-oxo-3H-xanthen-9-yl)benzoic acid
- IUPAC
- 2-[3-(4-bromophenyl)sulfonyloxy-4,5-diiodo-6-oxoxanthen-9-yl]benzoic acid
- English name
- 2-(6-{[(4-bromophenyl)sulfonyl]oxy}-4,5-diiodo-3-oxo-3H-xanthen-9-yl)benzoic acid
- Molecular formula
- C26H13BrI2O7S
- Molecular weight
- 803.15516
Names & synonyms
2-(6-{[(4-bromophenyl)sulfonyl]oxy}-4,5-diiodo-3-oxo-3H-xanthen-9-yl)benzoic acidAN-652/130640012-[3-(4-bromophenyl)sulfonyloxy-4,5-diiodo-6-oxoxanthen-9-yl]benzoic acid
Database identifiers
- CAS
903086-92-0
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,150
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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