Basic information
- CAS
760888-04-8- Standard SMILES
CC(C)c1ccc2c(C(C)C)cc(S(=O)(=O)O)cc2c1- InChIKey
BEOMTCBYBAGICS-UHFFFAOYSA-N- Molecular formula
- C16H20O3S
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.11331567
Names & identifiers
- Preferred name
- 4,7-Di(propan-2-yl)naphthalene-2-sulfonic acid
- IUPAC
- 4,7-di(propan-2-yl)naphthalene-2-sulfonic acid
Names & synonyms
4,7-di(propan-2-yl)naphthalene-2-sulfonic acid760888-04-8SCHEMBL11143422SCHEMBL29389505DTXSID90892178
Database identifiers
- CAS
760888-04-8- PubChem CID
- 14874
- DTXSID
DTXSID90892178
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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