1,1,4a,10b-Tetramethyl-6,6-dioxo-2,3,4,4b,5,11,12,12a-octahydronaphtho[1,2-c]thiochromene-8,10-dicarboxylic acid
Basic information
- Standard SMILES
CC1(C)CCCC2(C)C1CCC1(C)c3c(C(=O)O)cc(C(=O)O)cc3S(=O)(=O)CC12- InChIKey
DKXIBVCGYMRHGY-UHFFFAOYSA-N- Molecular formula
- C23H30O6S
- Average molar mass
- 434.5 g/mol
Names & identifiers
- Preferred name
- 1,1,4a,10b-Tetramethyl-6,6-dioxo-2,3,4,4b,5,11,12,12a-octahydronaphtho[1,2-c]thiochromene-8,10-dicarboxylic acid
- IUPAC
- 1,1,4a,10b-tetramethyl-6,6-dioxo-2,3,4,4b,5,11,12,12a-octahydronaphtho[1,2-c]thiochromene-8,10-dicarboxylic acid
Database identifiers
- PubChem CID
- 75986953
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 857
Related reactions
1 records
Compound notes
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