Benzenesulfonic acid, heptadecyl-
Basic information
- CAS
39735-13-2- Standard SMILES
CCCCCCCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1- InChIKey
YEXQTVXCDFZSCZ-UHFFFAOYSA-N- Molecular formula
- C23H40O3S
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.26981631
Overview
See also: Heptadecylbenzenesulfonic acid (annotation moved to).
Names & identifiers
- Preferred name
- Benzenesulfonic acid, heptadecyl-
- IUPAC
- 4-heptadecylbenzenesulfonic acid
- English name
- heptadecylbenzenesulphonic acid
- Molecular formula
- C23H40O3S
- Molecular weight
- 396.6269
Names & synonyms
Benzenesulfonic acid, heptadecyl-EINECS 254-608-8RefChem:56485339735-13-2Heptadecylbenzenesulphonic acid4-Heptadecylbenzene-1-sulfonic acidHeptadecylbenzenesulfonic acidSCHEMBL4203952DTXSID80960335YEXQTVXCDFZSCZ-UHFFFAOYSA-N
Database identifiers
- CAS
39735-13-2- PubChem CID
- 94496
- DTXSID
DTXSID80960335- EC Number
- 254-608-8
- Nikkaji
- J181.063D
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- EPA Substance Registry System
- Benzenesulfonic acid, heptadecyl- (39735-13-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, heptadecyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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