Basic information
- CAS
198700-34-4- Standard SMILES
C=C(c1ccc(C(=O)NCCS(=O)(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C- InChIKey
CVDBJJRBJJHNPI-UHFFFAOYSA-N- Molecular formula
- C26H33NO4S
- Average molar mass
- 455.6 g/mol
- Monoisotopic mass
- 455.21302971
Names & identifiers
- Preferred name
- 2-[[4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoyl]amino]ethanesulfonic acid
- IUPAC
- 2-[[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl]amino]ethanesulfonic acid
Names & synonyms
DTXSID401109712198700-34-42-[[4-[1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl]benzoyl]amino]ethanesulfonic acid
Database identifiers
- CAS
198700-34-4- PubChem CID
- 102428263
- DTXSID
DTXSID401109712
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 802
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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