Basic information
- Standard SMILES
CC1(C)CCC(C)(C)c2cc(C(=O)SCc3ccc(C(=O)O)cc3)ccc21- InChIKey
SWWIDFAILXRNQD-UHFFFAOYSA-N- Molecular formula
- C23H26O3S
- Average molar mass
- 382.5 g/mol
Names & identifiers
- Preferred name
- 4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthoylthiomethyl)benzoic acid
- IUPAC
- 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)sulfanylmethyl]benzoic acid
Names & synonyms
SCHEMBL8839140SWWIDFAILXRNQD-UHFFFAOYSA-N4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl -2-naphthoylthiomethyl)benzoic acid4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthoyl thiomethyl)benzoic acid4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthoylthiomethyl)benzoic acid
Database identifiers
- PubChem CID
- 21474500
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 560
Related reactions
5 records
Compound notes
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