Nonanoic acid, 4-sulfophenyl ester
Basic information
- CAS
102568-16-1- Standard SMILES
CCCCCCCCC(=O)Oc1ccc(S(=O)(=O)O)cc1- InChIKey
VNEUMNOZRFLRPI-UHFFFAOYSA-N- Molecular formula
- C15H22O5S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.11879497
Names & identifiers
- Preferred name
- Nonanoic acid, 4-sulfophenyl ester
- IUPAC
- 4-nonanoyloxybenzenesulfonic acid
Names & synonyms
Nonanoic acid, 4-sulfophenyl ester4-(Nonanoyloxy)benzenesulfonic acid4-Sulfophenyl nonanoatenonanoyloxyphenylsulfonatenonanoyloxyphenylsulphonate102568-16-1p-nonanoyloxybenzenesulfonate4-nonanoyloxybenzenesulfonateUNII-OE4Q2PUW6JOE4Q2PUW6Jnonanoyloxy-p-benzenesulfonic acidJ860.863F
Show more names
4-(Pelargonoyloxy)benzenesulfonic acidDTXSID80276529RefChem:166461DTXCID301967884-(nonanoyloxy)benzene-1-sulfonic acidSCHEMBL1680794-sulfophenyl esternonanoic acidQ27285601
Database identifiers
- CAS
102568-16-1- PubChem CID
- 163573
- DTXSID
DTXSID80276529- UNII
- OE4Q2PUW6J
- Nikkaji
- J860.863F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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