10-Methoxycarbonyl-1,1,4a,10b-tetramethyl-6,6-dioxo-2,3,4,4b,5,11,12,12a-octahydronaphtho[1,2-c]thiochromene-8-carboxylic acid
Basic information
- Standard SMILES
COC(=O)c1cc(C(=O)O)cc2c1C1(C)CCC3C(C)(C)CCCC3(C)C1CS2(=O)=O- InChIKey
OCNZHNZSOCITLY-UHFFFAOYSA-N- Molecular formula
- C24H32O6S
- Average molar mass
- 448.6 g/mol
Names & identifiers
- Preferred name
- 10-Methoxycarbonyl-1,1,4a,10b-tetramethyl-6,6-dioxo-2,3,4,4b,5,11,12,12a-octahydronaphtho[1,2-c]thiochromene-8-carboxylic acid
- IUPAC
- 10-methoxycarbonyl-1,1,4a,10b-tetramethyl-6,6-dioxo-2,3,4,4b,5,11,12,12a-octahydronaphtho[1,2-c]thiochromene-8-carboxylic acid
Database identifiers
- PubChem CID
- 75986952
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 873
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Related reactions
1 records
Compound notes
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